Geometry & MOs

Info

ID:	336684
PubChem CID:	127255691
Reduced:	BrIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	335.86467
ΔH_f, kcal/mol:	5.15
Dipole, Da:	1.59
IP(EA), eV:	-9.84(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C(=C(C=C2)I)Br

DOS

IR

Vibrations