Geometry & MOs

Info

ID:	63060
PubChem CID:	26744166
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	442.197811
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	3.83
IP(EA), eV:	-8.93(-0.53)
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-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3C4CCOCC4)O

DOS

IR

Vibrations