Geometry & MOs

Info

ID:	281288
PubChem CID:	103913652
Reduced:	ClFN2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	294.012682
ΔH_f, kcal/mol:	26.03
Dipole, Da:	3.6
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichloroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations