Version2.5 2022-11-03T10:15:32Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 27-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C(C)N1N=C1CCNCC1 RHF 6-31G(d) (6D,7F) CC1C(C)N1N=C1CCNCC1 C1[X(C9H17N3)] 81 C1 214 CC1C(C)N1N=C1CCNCC1 CC1N(C1C)N=C1CCNCC1 CC1C(C)N1N=C2CCNCC2 InChIKey=GKKVJFXLMMJDOS-UHFFFAOYSA-N InChI=1S/C9H17N3/c1-7-8(2)12(7)11-9-3-5-10-6-4-9/h7-8,10H,3-6H2,1-2H3 InChI=1/C9H17N3/c1-7-8(2)12(7)11-9-3-5-10-6-4-9/h7-8,10H,3-6H2,1-2H3 CC1C(C)N1N=C1CCNCC1 C01[X(C9H17N3)] 81 C1 214 CC1C(C)N1N=C1CCNCC1 C[C@@H]1N([C@@H]1C)NC1CCNCC1 C[C@H]1[C@@H](C)N1NC2CCNCC2 InChIKey=KPAOSXQFHBPDRN-ITGSWZIZSA-N InChI=1S/C9H19N3/c1-7-8(2)12(7)11-9-3-5-10-6-4-9/h7-11H,3-6H2,1-2H3/t7-,8+,12? 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