Geometry & MOs

Info

ID:	176064
PubChem CID:	75990493
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-47.09
Dipole, Da:	4.38
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,3,4,4a,6,7,8,8a-octahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)CCNC1=S

DOS

IR

Vibrations