Geometry & MOs

Info

ID:	336713
PubChem CID:	127255720
Reduced:	BrO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	239.97859
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	3.75
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1CCC2=O)Br

DOS

IR

Vibrations