Geometry & MOs

Info

ID:	166277
PubChem CID:	74661558
Reduced:	SO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	277.123342
ΔH_f, kcal/mol:	53.2
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.301376
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=[N+](C(=O)N3C(=C12)N=C(N3)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations