Geometry & MOs

Info

ID:	336683
PubChem CID:	127255690
Reduced:	FIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	335.86467
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	4.72
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations