Geometry & MOs

Info

ID:	365681
PubChem CID:	127318402
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	395.162725
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	5.76
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations