Geometry & MOs

Info

ID:	384671
PubChem CID:	134977432
Reduced:	PH24C26 (1)
Stoich.:	AB24C26 (1)
Weight, g/mol:	512.125744
ΔH_f, kcal/mol:	91.55
Dipole, Da:	14.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961735
Charge, e:	0

Chem-info

IUPAC name:

2,2-diphenyl-1,3,4,5-tetrahydrobenzo[i][2]benzophosphepin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1C[P+](CC2=C1C=CC3=CC=CC=C23)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations