Geometry & MOs

Info

ID:	14684
PubChem CID:	417577
Reduced:	Zn2O8C23H29 (1)
Stoich.:	A2B8C23D29 (1)
Weight, g/mol:	563.04142
ΔH_f, kcal/mol:	-201.08
Dipole, Da:	7.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.776455
Charge, e:	-1

Chem-info

IUPAC name:

zinc;3-methylbenzoic acid;pentane-2,4-dione;zinc

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)O.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zn].[Zn+2]

DOS

IR

Vibrations