Geometry & MOs

Info

ID:	63064
PubChem CID:	26744178
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC5=CC=CC=C5O4)O

DOS

IR

Vibrations