Geometry & MOs

Info

ID:	31774
PubChem CID:	3718049
Reduced:	ON3C32H35 (1)
Stoich.:	AB3C32D35 (1)
Weight, g/mol:	225.96294
ΔH_f, kcal/mol:	42.04
Dipole, Da:	7.6
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C3=CC=CC=C3N2CCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations