Geometry & MOs

Info

ID:	30013
PubChem CID:	838892
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	296.11207
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	6.06
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methoxy-2-(5-nitrofuran-2-yl)-5-piperidin-1-yl-2H-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CC[C@H](C2=O)[C@]3(C4=CC=CC=C4NC3=O)O)OC

DOS

IR

Vibrations