Geometry & MOs

Info

ID:	387149
PubChem CID:	134984198
Reduced:	BrPH18C20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	345.177213
ΔH_f, kcal/mol:	54.22
Dipole, Da:	5.96
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CP1(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations