Geometry & MOs

Info

ID:	4539
PubChem CID:	11578
Reduced:	CaO6C10H14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	270.041629
ΔH_f, kcal/mol:	-390.44
Dipole, Da:	1.87
IP(EA), eV:	-10.19(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;4-oxopentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations