Geometry & MOs

Info

ID:	372705
PubChem CID:	131302942
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	2.72
IP(EA), eV:	-8.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-cyanopiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NC2=C(SC=C2N1C)N

DOS

IR

Vibrations