Geometry & MOs

Info

ID:	336672
PubChem CID:	127255679
Reduced:	OBr2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	291.91519
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	5.01
IP(EA), eV:	-9.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations