Geometry & MOs

Info

ID:	336747
PubChem CID:	127255754
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	239.97859
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	7.08
IP(EA), eV:	-9.76(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1CCC2=O)[N+](=O)[O-]

DOS

IR

Vibrations