Geometry & MOs

Info

ID:	336741
PubChem CID:	127255748
Reduced:	BrO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	225.96294
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	3.14
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-hydroxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C(=CC(=C2)O)Br

DOS

IR

Vibrations