Geometry & MOs

Info

ID:	266808
PubChem CID:	103579555
Reduced:	SN2H8C11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	232.020354
ΔH_f, kcal/mol:	82.96
Dipole, Da:	5.47
IP(EA), eV:	-9.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chloro-4-fluorophenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=C(C=C2)C#N

DOS

IR

Vibrations