Geometry & MOs

Info

ID:	336751
PubChem CID:	127255758
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	3.2
IP(EA), eV:	-9.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=O)CC2)I

DOS

IR

Vibrations