Geometry & MOs

Info

ID:	281299
PubChem CID:	103913667
Reduced:	ClF2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	278.042232
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	3.6
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2-fluoroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations