Geometry & MOs

Info

ID:	336696
PubChem CID:	127255703
Reduced:	FIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	335.86467
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	5.23
IP(EA), eV:	-9.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2F)I

DOS

IR

Vibrations