Geometry & MOs

Info

ID:	336755
PubChem CID:	127255762
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-11.46
Dipole, Da:	1.79
IP(EA), eV:	-9.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=O)CC2)I

DOS

IR

Vibrations