Geometry & MOs

Info

ID:	63146
PubChem CID:	26744409
Reduced:	FN3O5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	5.79
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC=C(C=C4)F)O)OC)OC

DOS

IR

Vibrations