Geometry & MOs

Info

ID:	336703
PubChem CID:	127255710
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	5.3
IP(EA), eV:	-9.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)CC2)C(=C1)I

DOS

IR

Vibrations