Geometry & MOs

Info

ID:

385367

PubChem CID:

134978884

Reduced:

BP2O3C10H16 (1)

Stoich.:

AB2C3D10E16 (1)

Weight, g/mol:

256.058948

ΔHf, kcal/mol:

-48.83

Dipole, Da:

7.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754260

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-][PH+](CCP(=O)(OC)OC)C1=CC=CC=C1

DOS

IR

Vibrations