Geometry & MOs

Info

ID:	28536
PubChem CID:	828158
Reduced:	NSH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	49.81
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.338922
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-chloro-(4-chlorophenyl)methyl]-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)C

DOS

IR

Vibrations