Geometry & MOs

Info

ID:	387435
PubChem CID:	134985358
Reduced:	P2F6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	381.177213
ΔH_f, kcal/mol:	-398.95
Dipole, Da:	24.11
IP(EA), eV:	-8.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C([P+](CC2=C1C=CC3=CC=CC=C23)(C4=CC=CC=C4)C5=CC=CC=C5)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations