Geometry & MOs

Info

ID:	231220
PubChem CID:	87573040
Reduced:	PN4C22H48 (1)
Stoich.:	AB4C22D48 (1)
Weight, g/mol:	382.33511
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755678
Charge, e:	1

Chem-info

IUPAC name:

cyanocyanamide;tributyl(octyl)phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations