Geometry & MOs

Info

ID:	30107
PubChem CID:	839983
Reduced:	O3N4H10C11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	21.46
Dipole, Da:	3.73
IP(EA), eV:	-9.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations