Geometry & MOs

Info

ID:

85336

PubChem CID:

49873997

Reduced:

HgBr2O6H11C20 (1)

Stoich.:

AB2C6D11E20 (1)

Weight, g/mol:

709.153751

ΔHf, kcal/mol:

-116.94

Dipole, Da:

8.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782801

Charge, e:

 -2

Chem-info

IUPAC name:

cobalt(2+);3-oxo-2-[phenyl(phenylazanidyl)methyl]inden-1-olate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)O)[Hg])Br)C(=O)O.O

DOS

IR

Vibrations