Geometry & MOs

Info

ID:	240602
PubChem CID:	93616698
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	2.54
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-ethynylphenyl)-2-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations