Geometry & MOs

Info

ID:	141446
PubChem CID:	52877875
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	233.165388
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	3.42
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-2-benzylpiperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)CN3CCCCC3

DOS

IR

Vibrations