Geometry & MOs

Info

ID:	9708
PubChem CID:	92521
Reduced:	CaO5C6H12 (1)
Stoich.:	AB5C6D12 (1)
Weight, g/mol:	204.031064
ΔH_f, kcal/mol:	-370.57
Dipole, Da:	2.53
IP(EA), eV:	-10.58(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;propanoate;hydrate

Drug info:

PubChemData

Smile

CCC(=O)[O-].CCC(=O)[O-].O.[Ca+2]

DOS

IR

Vibrations