Geometry & MOs

Info

ID:	30164
PubChem CID:	840408
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	264.038236
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	3.17
IP(EA), eV:	-10.82(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations