Geometry & MOs

Info

ID:	8750
PubChem CID:	80958
Reduced:	ClN4O4H17C24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	460.093833
ΔH_f, kcal/mol:	33.34
Dipole, Da:	7.06
IP(EA), eV:	-8.58(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations