Geometry & MOs

Info

ID:	203512
PubChem CID:	79839987
Reduced:	FCl2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	261.046903
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	2.37
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=C(C=NC=C2)Cl)Cl)F

DOS

IR

Vibrations