Geometry & MOs

Info

ID:	124356
PubChem CID:	50880228
Reduced:	BrClO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	258.93995
ΔH_f, kcal/mol:	-117.5
Dipole, Da:	0.83
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-ethoxybenzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)Cl)C(=O)OCC

DOS

IR

Vibrations