Geometry & MOs

Info

ID:	136079
PubChem CID:	51975319
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	322.238219
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	2.08
IP(EA), eV:	-8.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C[C@@H](COCC(C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations