Geometry & MOs

Info

ID:	336699
PubChem CID:	127255706
Reduced:	BrIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	6.69
Dipole, Da:	4.93
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2Br)I

DOS

IR

Vibrations