Geometry & MOs

Info

ID:	29525
PubChem CID:	834728
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-116.43
Dipole, Da:	8.8
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-methylphenyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O)OC

DOS

IR

Vibrations