Geometry & MOs

Info

ID:	336748
PubChem CID:	127255755
Reduced:	BrO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	3.11
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C(=O)CC2)Br

DOS

IR

Vibrations