Geometry & MOs

Info

ID:	384668
PubChem CID:	134977429
Reduced:	PF3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	343.161563
ΔH_f, kcal/mol:	-414.89
Dipole, Da:	21.46
IP(EA), eV:	-9.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,4-diphenyl-1,2,3,3a,5,9b-hexahydrocyclopenta[c]isophosphinolin-4-ium

Drug info:

PubChemData

Smile

C1CC2C(C1)[P+](CC3=CC=CC=C23)(C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations