Geometry & MOs

Info

ID:	336754
PubChem CID:	127255761
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	2.27
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC2=O)C=C1I

DOS

IR

Vibrations