Geometry & MOs

Info

ID:	26626
PubChem CID:	794099
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	304.06147
ΔH_f, kcal/mol:	109.31
Dipole, Da:	6.43
IP(EA), eV:	-8.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-4-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C2=NSN=C12)/C=[N+](\C3=CC=C(C=C3)N(C)C)/[O-]

DOS

IR

Vibrations