Geometry & MOs

Info

ID:

386351

PubChem CID:

134981471

Reduced:

PVO2C11H19 (1)

Stoich.:

ABC2D11E19 (1)

Weight, g/mol:

249.00027

ΔHf, kcal/mol:

-15.58

Dipole, Da:

4.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.722409

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CP(C)C.[CH2-]CC(=O)O.C1=C[CH]C=C1.[V]

DOS

IR

Vibrations