Geometry & MOs

Info

ID:	274433
PubChem CID:	103809327
Reduced:	ClOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	2.96
IP(EA), eV:	-9.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations