Geometry & MOs

Info

ID:	274262
PubChem CID:	103808076
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	300.079619
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	2.82
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[1-(3,4-dichlorophenyl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations