Geometry & MOs

Info

ID:	384937
PubChem CID:	134977993
Reduced:	PO2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	488.125744
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	9.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758346
Charge, e:	0

Chem-info

IUPAC name:

(1S,10R)-9,9-diphenyl-9-phosphoniatricyclo[8.2.1.02,7]trideca-2,4,6-triene;hexafluorophosphate

Drug info:

PubChemData

Smile

CC[P+](CC)(C1=CC=CC=C1)C(C2=CC=CC=C2)/C(=C(/C)\O)/C(=O)C

DOS

IR

Vibrations