Geometry & MOs

Info

ID:	281304
PubChem CID:	103913673
Reduced:	FN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	258.096855
ΔH_f, kcal/mol:	17.32
Dipole, Da:	4.01
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2-fluoro-4-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NCC3=C(C(=CC=C3)C#N)F

DOS

IR

Vibrations