Geometry & MOs

Info

ID:	240659
PubChem CID:	93616998
Reduced:	OSN3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	38.38
Dipole, Da:	8.13
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(methoxymethyl)phenyl]-3-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)NC2=CC=C(C=C2)C#N)C3=CSC=C3

DOS

IR

Vibrations