Geometry & MOs

Info

ID:

408107

PubChem CID:

135080863

Reduced:

FN2O3C6H6 (1)

Stoich.:

AB2C3D6E6 (1)

Weight, g/mol:

174.04407

ΔHf, kcal/mol:

-107.04

Dipole, Da:

5.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.842923

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations