Geometry & MOs

Info

ID:	384669
PubChem CID:	134977430
Reduced:	PC24H24 (1)
Stoich.:	AB24C24 (1)
Weight, g/mol:	512.125744
ΔH_f, kcal/mol:	65.47
Dipole, Da:	8.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946115
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2,2-diphenyl-3,4-dihydro-1H-benzo[h]isophosphinolin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations