Geometry & MOs

Info

ID:	5569
PubChem CID:	13343
Reduced:	Co3H10C12O14 (1)
Stoich.:	A3B10C12D14 (1)
Weight, g/mol:	554.80664
ΔH_f, kcal/mol:	-639.49
Dipole, Da:	29.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.793847
Charge, e:	0

Chem-info

IUPAC name:

cobalt(2+);2-hydroxypropane-1,2,3-tricarboxylate

Drug info:

PubChemData

Smile

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+2].[Co+2].[Co+2]

DOS

IR

Vibrations