Geometry & MOs

Info

ID:

231237

PubChem CID:

87573111

Reduced:

PN4C13H30 (1)

Stoich.:

AB4C13D30 (1)

Weight, g/mol:

256.19426

ΔHf, kcal/mol:

-0.4

Dipole, Da:

7.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756288

Charge, e:

 1

Chem-info

IUPAC name:

cyanocyanamide;trimethyl(octyl)phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations