Geometry & MOs

Info

ID:	63053
PubChem CID:	26744158
Reduced:	N4O5C20H20 (1)
Stoich.:	A4B5C20D20 (1)
Weight, g/mol:	353.161366
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	8.37
IP(EA), eV:	-9.18(-1.36)
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-(pyridin-2-ylmethyl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations