Version2.4 2021-07-01T11:32:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 RPOIRIER 13-Sep-2018 #N HF/3-21G OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C1C[C@@H](C[C@@]2(C1)CCC[C@@H](N2O)F)I C39523196 RHF 3-21G (6D,7F) C1C[C@@H](C[C@@]2(C1)CCC[C@@H](N2O)F)I C01[X(C10H17F1I1N1O1)] 87 C1 184 I[C@H]1CCC[C@]2(C1)CCC[C@@H](N2O)F I[C@H]1CCC[C@]2(C1)CCC[C@@H](N2O)F ON1[C@@H](F)CCC[C@@]12CCC[C@H](I)C2 InChIKey=XRAMHYREYUSHRO-IVZWLZJFSA-N InChI=1S/C10H17FINO/c11-9-4-2-6-10(13(9)14)5-1-3-8(12)7-10/h8-9,14H,1-7H2/t8-,9+,10+/m0/s1 InChI=1/C10H17FINO/c11-9-4-2-6-10(13(9)14)5-1-3-8(12)7-10/h8-9,14H,1-7H2/t8-,9+,10+/m0/s1 C1C[C@@H](C[C@@]2(C1)CCC[C@@H](N2O)F)I C01[X(C10H17F1I1N1O1)] 87 C01 184 I[C@H]1CCC[C@]2(C1)CCC[C@@H](N2O)F I[C@H]1CCC[C@]2(C1)CCC[C@@H](N2O)F ON1[C@@H](F)CCC[C@@]12CCC[C@H](I)C2 InChIKey=XRAMHYREYUSHRO-IVZWLZJFSA-N InChI=1S/C10H17FINO/c11-9-4-2-6-10(13(9)14)5-1-3-8(12)7-10/h8-9,14H,1-7H2/t8-,9+,10+/m0/s1 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|3.688673|3.515604|4.135527|0.108564|6.080070|7.387358|4.893708|12.386121|36.858105| |3.497740|3.234526|3.818579|0.107447|5.074407|6.372192|4.414307|7.614611|12.424868|36.858105| |4.145736|3.810541|4.736388|0.142672|6.056736|7.588102|4.988346|6.607926|7.636163|12.597498|36.858105| |3.945752|3.883304|5.181505|0.159671|6.539059|6.686913|4.472039|5.640011|6.696146|8.784561|17.669196|0.500000| |5.912569|4.915928|5.859662|0.174668|7.435102|12.789131|7.714140|7.893513|6.652104|7.815113|13.105744|0.251346|53.358707| |6.412296|5.439032|6.611139|0.236955|6.518689|7.903162|6.427007|5.106094|4.540577|5.178981|8.271005|0.211515|17.733555|73.516695| |3.566105|3.219607|3.797460|0.118529|4.326581|5.184375|4.027176|4.636434|5.127082|8.043898|13.582421|0.264248|11.354937|12.904372|97.533100| |4.222956|6.139766|8.575504|0.196541|6.174017|4.188588|3.791445|3.412294|3.189383|2.924506|3.371292|0.106470|4.936427|6.994812|6.430762|6874.357145| 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