Geometry & MOs

Info

ID:

177407

PubChem CID:

76181843

Reduced:

CoO2N6C36H44 (1)

Stoich.:

AB2C6D36E44 (1)

Weight, g/mol:

213.027337

ΔHf, kcal/mol:

76.1

Dipole, Da:

9.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.322212

Charge, e:

 0

Chem-info

IUPAC name:

2-(carboxymethyl)-4-hydroxy-6-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=NCCC1=CC=CC=N1)C(=NO)C.CC(=NCCC1=CC=CC=N1)C(=NO)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Co+2]

DOS

IR

Vibrations