Geometry & MOs

Info

ID:	336740
PubChem CID:	127255747
Reduced:	IO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	225.96294
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	4.08
IP(EA), eV:	-9.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-hydroxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2O)I

DOS

IR

Vibrations