Geometry & MOs

Info

ID:	437275
PubChem CID:	135221101
Reduced:	CaO5C6H8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	186.037865
ΔH_f, kcal/mol:	-273.74
Dipole, Da:	6.2
IP(EA), eV:	-9.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C(CC(=O)O)C(=O)CC(=O)O.[Ca]

DOS

IR

Vibrations