Geometry & MOs

Info

ID:	336714
PubChem CID:	127255721
Reduced:	BrO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	5.02
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-4-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1CCC2=O)Br

DOS

IR

Vibrations