Geometry & MOs

Info

ID:	281298
PubChem CID:	103913665
Reduced:	FN3H10C15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	278.042232
ΔH_f, kcal/mol:	65.19
Dipole, Da:	4.86
IP(EA), eV:	-9.0(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations