Geometry & MOs

Info

ID:	144720
PubChem CID:	53402810
Reduced:	ClNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	237.96294
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	3.36
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-1-benzofuran-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1Cl)N)OC

DOS

IR

Vibrations