Geometry & MOs

Info

ID:	31084
PubChem CID:	854423
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	319.016684
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	4.04
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2-(3,4-dimethylphenyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCN2C(=O)CCC2=O)Cl

DOS

IR

Vibrations