Geometry & MOs

Info

ID:	231363
PubChem CID:	87573555
Reduced:	PN4C12H28 (1)
Stoich.:	AB4C12D28 (1)
Weight, g/mol:	242.17861
ΔH_f, kcal/mol:	22.61
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763382
Charge, e:	1

Chem-info

IUPAC name:

butyl(triethyl)phosphanium;cyanocyanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations