Geometry & MOs

Info

ID:	336717
PubChem CID:	127255724
Reduced:	IO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	6.57
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-6-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=O)CC2)C(=C1)I

DOS

IR

Vibrations