Geometry & MOs

Info

ID:	158029
PubChem CID:	56459419
Reduced:	FO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	304.077869
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	3.06
IP(EA), eV:	-8.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN(CCOC1=CC=CC=C1F)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

DOS

IR

Vibrations