Geometry & MOs

Info

ID:	281290
PubChem CID:	103913654
Reduced:	FCl2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	260.051654
ΔH_f, kcal/mol:	17.05
Dipole, Da:	4.17
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations