Geometry & MOs

Info

ID:	365741
PubChem CID:	127318466
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	2.95
Dipole, Da:	2.97
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[2.2.1]heptan-2-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC=C(C=C3)NC(=O)C4CC5CCC4O5

DOS

IR

Vibrations