Geometry & MOs

Info

ID:

21936

PubChem CID:

593931

Reduced:

VO4C12H24 (1)

Stoich.:

AB4C12D24 (1)

Weight, g/mol:

283.111416

ΔHf, kcal/mol:

-188.71

Dipole, Da:

6.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.629568

Charge, e:

 0

Chem-info

IUPAC name:

but-3-en-2-ol;oxovanadium

Drug info:

PubChemData

Smile

CC(C=C)O.CC(C=C)O.CC(C=C)O.O=[V]

DOS

IR

Vibrations