Geometry & MOs

Info

ID:	336698
PubChem CID:	127255705
Reduced:	BrIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	335.86467
ΔH_f, kcal/mol:	5.73
Dipole, Da:	3.75
IP(EA), eV:	-9.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=CC(=C(C=C21)I)Br

DOS

IR

Vibrations