Geometry & MOs

Info

ID:	303806
PubChem CID:	124490201
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.59
IP(EA), eV:	-8.69(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-phenyl-2-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinolin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CSC1

DOS

IR

Vibrations