Geometry & MOs

Info

ID:	173050
PubChem CID:	75589800
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	6.43
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CN(C2CC2)C(=O)C3C=CC(=O)N=N3

DOS

IR

Vibrations