Geometry & MOs

Info

ID:	5424
PubChem CID:	13136
Reduced:	Ca3H10C12O14 (1)
Stoich.:	A3B10C12D14 (1)
Weight, g/mol:	497.894828
ΔH_f, kcal/mol:	-747.53
Dipole, Da:	24.84
IP(EA), eV:	-6.85(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricalcium;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.[Ca+2].[Ca+2].[Ca+2]

DOS

IR

Vibrations