Geometry & MOs

Info

ID:	281293
PubChem CID:	103913658
Reduced:	ClFN2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	294.078011
ΔH_f, kcal/mol:	25.15
Dipole, Da:	3.13
IP(EA), eV:	-8.68(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[[3-(trifluoromethyl)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations