Geometry & MOs

Info

ID:	8816
PubChem CID:	81867
Reduced:	ClNO2H8C14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	257.024356
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	5.88
IP(EA), eV:	-9.04(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations