Geometry & MOs

Info

ID:	63135
PubChem CID:	26744364
Reduced:	FN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	340.14613
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.170441
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C[NH+]3C[C@@H](C[C@H]3C4=NC(=NO4)C5=CC=C(C=C5)F)O

DOS

IR

Vibrations