Geometry & MOs

Info

ID:	9463
PubChem CID:	89756
Reduced:	Zr2O7C16H30 (1)
Stoich.:	A2B7C16D30 (1)
Weight, g/mol:	514.008551
ΔH_f, kcal/mol:	-735.09
Dipole, Da:	4.51
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexanoate;oxozirconium(2+);oxygen(2-)

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[O-2].O=[Zr+2].O=[Zr+2]

DOS

IR

Vibrations