Geometry & MOs

Info

ID:	304175
PubChem CID:	124498039
Reduced:	SN2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	8.2
Dipole, Da:	1.96
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-(2-ethylsulfanylpyridin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCCC[C@@H]1C2=C(N=CC=C2)SCC

DOS

IR

Vibrations