Geometry & MOs

Info

ID:	141317
PubChem CID:	52859603
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	339.207253
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	2.12
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[(2R)-1-benzylpiperidin-1-ium-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CNC(=O)CC2=CC(=CC=C2)O)CC3=CC=CC=C3

DOS

IR

Vibrations