Geometry & MOs

Info

ID:	22047
PubChem CID:	595900
Reduced:	N2O3C8H8 (1)
Stoich.:	A2B3C8D8 (1)
Weight, g/mol:	180.053492
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	4.12
IP(EA), eV:	-10.48(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations