Geometry & MOs

Info

ID:

413838

PubChem CID:

135086788

Reduced:

PO3C9H12 (1)

Stoich.:

AB3C9D12 (1)

Weight, g/mol:

770.011342

ΔHf, kcal/mol:

-106.29

Dipole, Da:

2.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759343

Charge, e:

 0

Chem-info

IUPAC name:

bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-phenylphosphane

Drug info:

PubChemData

Smile

CCO[P+](=O)C1=CC=CC=C1OC

DOS

IR

Vibrations