Geometry & MOs

Info

ID:	281300
PubChem CID:	103913668
Reduced:	ClF2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	258.096855
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	4.37
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(5-fluoro-2-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations