Geometry & MOs

Info

ID:	384667
PubChem CID:	134977427
Reduced:	NPSO5H22C25 (1)
Stoich.:	ABCD5E22F25 (1)
Weight, g/mol:	488.125744
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	10.26
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2(C(NC3=CC=CC=C32)C4=CC=CC=C4O)(C5=CC=CC=C5)OS(=O)(=O)O

DOS

IR

Vibrations