Geometry & MOs

Info

ID:	336702
PubChem CID:	127255709
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	5.31
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)C2=C(C=C1)I

DOS

IR

Vibrations