Geometry & MOs

Info

ID:	281295
PubChem CID:	103913661
Reduced:	FNH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	274.067304
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	3.5
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-2-methylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C(=CC=C2)C#N)F)F

DOS

IR

Vibrations