Geometry & MOs

Info

ID:	281287
PubChem CID:	103913651
Reduced:	FNH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	260.051654
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations