Geometry & MOs

Info

ID:	231221
PubChem CID:	87573041
Reduced:	PN3C22H45 (1)
Stoich.:	AB3C22D45 (1)
Weight, g/mol:	596.490903
ΔH_f, kcal/mol:	19.49
Dipole, Da:	45.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764928
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroacetate;trihexyl(tetradecyl)phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations