Geometry & MOs

Info

ID:	136081
PubChem CID:	51975321
Reduced:	NO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	322.238219
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	2.56
IP(EA), eV:	-8.6(0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-piperidin-1-ium-1-yl-3-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCOC[C@@H](CN2CCCCC2)O

DOS

IR

Vibrations