Version2.5 2022-11-17T09:51:29Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 12-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC(=NN)N2CC2C(C)=C1 RHF 6-31G(d) (6D,7F) CC1NC(=NN)N2CC2C(C)=C1 C1[X(C8H14N4)] 72 C1 208 CC1NC(=NN)N2CC2C(C)=C1 NN=C1NC(C)C=C(C2N1C2)C CC1NC(=NN)N2CC2C(=C1)C InChIKey=NKKUMMFMTWOKSG-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-5-3-6(2)10-8(11-9)12-4-7(5)12/h3,6-7H,4,9H2,1-2H3,(H,10,11) InChI=1/C8H14N4/c1-5-3-6(2)10-8(11-9)12-4-7(5)12/h3,6-7H,4,9H2,1-2H3,(H,10,11)/f/h10H CC1NC(=NN)N2CC2C(C)=C1 C01[X(C8H14N4)] 72 C1 208 CC1NC(=NN)N2CC2C(C)=C1 NN[C@H]1N[C@H](C)C[C@H]([C@H]2[N@@]1C2)C C[C@@H]1C[C@@H](C)[C@@H]2CN2[C@@H](NN)N1 InChIKey=BUCQRQHATVDHFB-UBZOLBORSA-N InChI=1S/C8H18N4/c1-5-3-6(2)10-8(11-9)12-4-7(5)12/h5-8,10-11H,3-4,9H2,1-2H3/t5-,6-,7+,8-,12+/m1/s1 InChI=1/C8H18N4/c1-5-3-6(2)10-8(11-9)12-4-7(5)12/h5-8,10-11H,3-4,9H2,1-2H3/t5-,6-,7+,8-,12+/m1/s1 5.282379678188D+02 -2.720964081040D+03 742.9889247123 -528.7854914 1-A 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