Geometry & MOs

Info

ID:	63058
PubChem CID:	26744164
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	346.176681
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	3.71
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(oxan-4-yl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC=NC=C4)O

DOS

IR

Vibrations