Geometry & MOs

Info

ID:	384803
PubChem CID:	134977695
Reduced:	BrO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	331.161563
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	5.03
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-ethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=C(C=C1)Br)C2=C(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations