Geometry & MOs

Info

ID:	288031
PubChem CID:	104308896
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	338.84842
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	4.79
IP(EA), eV:	-9.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(2,6-dibromophenoxy)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)OCC(C#N)Cl

DOS

IR

Vibrations