Geometry & MOs

Info

ID:

408135

PubChem CID:

135080895

Reduced:

N2O3C7H9 (1)

Stoich.:

A2B3C7D9 (1)

Weight, g/mol:

170.069142

ΔHf, kcal/mol:

-86.34

Dipole, Da:

5.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.835462

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-2-methyl-1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(N1)CCC(=O)[O-])O

DOS

IR

Vibrations