Geometry & MOs

Info

ID:

14923

PubChem CID:

424202

Reduced:

VN2O3H30C32 (1)

Stoich.:

AB2C3D30E32 (1)

Weight, g/mol:

541.1696

ΔHf, kcal/mol:

-52.47

Dipole, Da:

5.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.084830

Charge, e:

 0

Chem-info

IUPAC name:

oxovanadium;1-phenyl-3-phenyliminobutan-1-one

Drug info:

PubChemData

Smile

CC(=NC1=CC=CC=C1)CC(=O)C2=CC=CC=C2.CC(=NC1=CC=CC=C1)CC(=O)C2=CC=CC=C2.O=[V]

DOS

IR

Vibrations