Geometry & MOs

Info

ID:	281308
PubChem CID:	103913682
Reduced:	F2N2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	262.071783
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	3.44
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-difluoroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations