Geometry & MOs

Info

ID:	134440
PubChem CID:	51696330
Reduced:	NO3C21H35 (1)
Stoich.:	AB3C21D35 (1)
Weight, g/mol:	336.253869
ΔH_f, kcal/mol:	-148.13
Dipole, Da:	2.47
IP(EA), eV:	-8.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C[C@@H](COCCOC2=CC=C(C=C2)C(C)C)O)C

DOS

IR

Vibrations