Geometry & MOs

Info

ID:	365970
PubChem CID:	127319259
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	7.36
Dipole, Da:	2.64
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC2=NOC(=N2)C3CC4CCC3O4

DOS

IR

Vibrations