Geometry & MOs

Info

ID:

408178

PubChem CID:

135080938

Reduced:

N3O3C6H8 (1)

Stoich.:

A3B3C6D8 (1)

Weight, g/mol:

171.064391

ΔHf, kcal/mol:

-74.66

Dipole, Da:

3.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.803885

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CC(=O)[O-])C1=C(N=C(N1)N)O

DOS

IR

Vibrations