Geometry & MOs

Info

ID:	63070
PubChem CID:	26744187
Reduced:	O3N5C22H24 (1)
Stoich.:	A3B5C22D24 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	34.38
Dipole, Da:	3.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758312
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C[NH+]3C[C@@H](C[C@H]3C4=NC(=NO4)C5=CC=C(C=C5)OC)O

DOS

IR

Vibrations