Geometry & MOs

Info

ID:	4266
PubChem CID:	11074
Reduced:	NO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	161.047678
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	2.95
IP(EA), eV:	-10.24(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations