Geometry & MOs

Info

ID:

193781

PubChem CID:

78434633

Reduced:

N2O4H7C9 (1)

Stoich.:

A2B4C7D9 (1)

Weight, g/mol:

220.060983

ΔHf, kcal/mol:

-112.78

Dipole, Da:

3.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811497

Charge, e:

 -1

Chem-info

IUPAC name:

3-hydroxy-2-(3-oxo-1H-isoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=CC=N2)C(=O)[O-]

DOS

IR

Vibrations