Geometry & MOs

Info

ID:

231385

PubChem CID:

87573598

Reduced:

PN4C28H60 (1)

Stoich.:

AB4C28D60 (1)

Weight, g/mol:

466.429011

ΔHf, kcal/mol:

-47.24

Dipole, Da:

9.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755402

Charge, e:

 1

Chem-info

IUPAC name:

cyanocyanamide;ethyl(trioctyl)phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations