Geometry & MOs

Info

ID:	365656
PubChem CID:	127318377
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	3.32
IP(EA), eV:	-9.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations