Geometry & MOs

Info

ID:	281292
PubChem CID:	103913656
Reduced:	FN2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	260.051654
ΔH_f, kcal/mol:	52.44
Dipole, Da:	3.44
IP(EA), eV:	-8.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NCC3=C(C(=CC=C3)C#N)F

DOS

IR

Vibrations