Geometry & MOs

Info

ID:	63150
PubChem CID:	26744416
Reduced:	FN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	329.128803
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986307
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H](C[NH+]([C@@H]1C2=NC(=NO2)C3=CC=C(C=C3)F)CC4=CC5=CC=CC=C5O4)O

DOS

IR

Vibrations