Geometry & MOs

Info

ID:	136080
PubChem CID:	51975320
Reduced:	NO3C19H32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754380
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-piperidin-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](C[NH+]2CCCCC2)O

DOS

IR

Vibrations