Geometry & MOs

Info

ID:	274715
PubChem CID:	103811223
Reduced:	ClON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	39.95
Dipole, Da:	5.46
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methyl-3-methylsulfanylpropyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations