Geometry & MOs

Info

ID:

7961

PubChem CID:

74538

Reduced:

VO4C12H30 (1)

Stoich.:

AB4C12D30 (1)

Weight, g/mol:

289.158366

ΔHf, kcal/mol:

-252.74

Dipole, Da:

5.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771826

Charge, e:

 0

Chem-info

IUPAC name:

butan-1-ol;oxovanadium

Drug info:

PubChemData

Smile

CCCCO.CCCCO.CCCCO.O=[V]

DOS

IR

Vibrations