Geometry & MOs

Info

ID:	336686
PubChem CID:	127255693
Reduced:	BrIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	291.91519
ΔH_f, kcal/mol:	8.26
Dipole, Da:	4.75
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2I)Br

DOS

IR

Vibrations