Geometry & MOs

Info

ID:	385029
PubChem CID:	134978171
Reduced:	PF3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	345.177213
ΔH_f, kcal/mol:	-301.81
Dipole, Da:	17.87
IP(EA), eV:	-6.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8,9-dimethyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC[P+](C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations