Geometry & MOs

Info

ID:	336716
PubChem CID:	127255723
Reduced:	IO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	4.94
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations