Geometry & MOs

Info

ID:	11030
PubChem CID:	110131
Reduced:	ClN4O4H15C17 (1)
Stoich.:	AB4C4D15E17 (1)
Weight, g/mol:	374.078183
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	1.42
IP(EA), eV:	-8.87(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations