Geometry & MOs

Info

ID:	133344
PubChem CID:	51511565
Reduced:	ON3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	333.171536
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763583
Charge, e:	-1

Chem-info

IUPAC name:

(9S)-9-cyclohexyl-9-methyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaen-11-olate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](C)CC1=C[NH+]=CN1

DOS

IR

Vibrations