Geometry & MOs

Info

ID:

231238

PubChem CID:

87573112

Reduced:

PN3C13H27 (1)

Stoich.:

AB3C13D27 (1)

Weight, g/mol:

120.015173

ΔHf, kcal/mol:

39.74

Dipole, Da:

20.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768851

Charge, e:

 0

Chem-info

IUPAC name:

methylphosphonous acid;dihydrofluoride

Drug info:

PubChemData

Smile

CCCCCCCC[P+](C)(C)C.C(#N)NC#N

DOS

IR

Vibrations