Geometry & MOs

Info

ID:	216446
PubChem CID:	85086250
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	277.123342
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	4.7
IP(EA), eV:	-9.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-8-methyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C(=O)O)NC(=O)CCl

DOS

IR

Vibrations