Geometry & MOs

Info

ID:	347725
PubChem CID:	127272787
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	48.13
Dipole, Da:	6.01
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(3-methylpiperidin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=C(C=C(C=N2)C#N)Cl

DOS

IR

Vibrations