Geometry & MOs

Info

ID:	11648
PubChem CID:	118494
Reduced:	CaO8H14C16 (1)
Stoich.:	AB8C14D16 (1)
Weight, g/mol:	374.031458
ΔH_f, kcal/mol:	-404.06
Dipole, Da:	11.28
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;3-acetyl-6-methyl-2-oxopyran-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C(=O)C)[O-].CC1=CC(=C(C(=O)O1)C(=O)C)[O-].[Ca+2]

DOS

IR

Vibrations