Geometry & MOs

Info

ID:	24778
PubChem CID:	613372
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	25.29
Dipole, Da:	3.21
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1Cl)C)N2CCCCC2)C#N

DOS

IR

Vibrations