Geometry & MOs

Info

ID:	336742
PubChem CID:	127255749
Reduced:	BrO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	2.75
IP(EA), eV:	-9.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-hydroxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2O)Br

DOS

IR

Vibrations