Geometry & MOs

Info

ID:	323357
PubChem CID:	126674509
Reduced:	Cl2O3N4H16C27 (1)
Stoich.:	A2B3C4D16E27 (1)
Weight, g/mol:	241.090292
ΔH_f, kcal/mol:	35.3
Dipole, Da:	7.88
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-4-fluorophenoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)Cl)NC(=O)NC3=C(C=CC(=C3)OC4=CC=C(C=C4)C#N)Cl

DOS

IR

Vibrations