Version2.5 2022-06-12T19:13:29Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 01-Jun-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C=CC2(C)CCN3CCC123 RHF 6-31G(d) (6D,7F) CC1C=CC2(C)CCN3CCC123 C1[X(C11H17N)] 81 C1 214 CC1C=CC2(C)CCN3CCC123 CC1C=CC2(C31CCN3CC2)C CC1C=CC2(C)CCN3CCC123 InChIKey=CHVHXQRCZAXGPV-UHFFFAOYSA-N InChI=1S/C11H17N/c1-9-3-4-10(2)5-7-12-8-6-11(9,10)12/h3-4,9H,5-8H2,1-2H3 InChI=1/C11H17N/c1-9-3-4-10(2)5-7-12-8-6-11(9,10)12/h3-4,9H,5-8H2,1-2H3 CC1C=CC2(C)CCN3CCC123 C01[X(C11H17N1)] 81 C1 214 CC1C=CC2(C)CCN3CCC123 C[C@H]1CC[C@@]2([C@@]31CC[N@]3CC2)C C[C@H]1CC[C@@]2(C)CCN3CC[C@]123 InChIKey=YYKKUWBOTXYEKA-DCAQKATOSA-N InChI=1S/C11H19N/c1-9-3-4-10(2)5-7-12-8-6-11(9,10)12/h9H,3-8H2,1-2H3/t9-,10-,11-/m0/s1 InChI=1/C11H19N/c1-9-3-4-10(2)5-7-12-8-6-11(9,10)12/h9H,3-8H2,1-2H3/t9-,10-,11-/m0/s1 4.806167767064D+02 -2.668444458524D+03 774.0151218826 -480.8365534 1-A 1714.1911 45 169 214 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