Geometry & MOs

Info

ID:	180723
PubChem CID:	76674753
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	5.57
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations