Geometry & MOs

Info

ID:	48120
PubChem CID:	10537311
Reduced:	OPH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	227.062577
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	5.03
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,6-dihydrobenzo[b][1]benzophosphepin-11-ium 11-oxide

Drug info:

PubChemData

Smile

CCP1(=O)C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations