Geometry & MOs

Info

ID:	272834
PubChem CID:	103761100
Reduced:	ClF2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	280.062361
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	5.64
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(2,4,6-trifluoroanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=C(C=CC(=C2)F)C#N)F)Cl

DOS

IR

Vibrations