Geometry & MOs

Info

ID:	63062
PubChem CID:	26744172
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	392.161031
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	5.58
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations