Geometry & MOs

Info

ID:	277538
PubChem CID:	103829271
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	4.28
IP(EA), eV:	-9.58(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)CC2=CC(=NC=C2)C#N

DOS

IR

Vibrations