Geometry & MOs

Info

ID:	260625
PubChem CID:	103197958
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	4.43
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-2-cyano-2-phenylethyl)-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)CC2=C(C=CS2)C#CCO

DOS

IR

Vibrations