Geometry & MOs

Info

ID:	288029
PubChem CID:	104308786
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	199.02002
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	4.53
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(3-fluorophenoxy)propanenitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OCC(C#N)Cl

DOS

IR

Vibrations