Geometry & MOs

Info

ID:	42488
PubChem CID:	8149613
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	307.202168
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	5.41
IP(EA), eV:	-7.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations