Geometry & MOs

Info

ID:	62229
PubChem CID:	26718473
Reduced:	Cl2N4O4H8C13 (1)
Stoich.:	A2B4C4D8E13 (1)
Weight, g/mol:	458.122634
ΔH_f, kcal/mol:	-8.01
Dipole, Da:	4.35
IP(EA), eV:	-9.89(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-N'-(3-nitrobenzoyl)-1,3-dioxoisoindole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC(=NC(=C2)Cl)Cl

DOS

IR

Vibrations