Geometry & MOs

Info

ID:	29610
PubChem CID:	835779
Reduced:	ClNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	282.064057
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	9.05
IP(EA), eV:	-8.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2OC)OC)Cl

DOS

IR

Vibrations