Geometry & MOs

Info

ID:	365641
PubChem CID:	127318362
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	4.08
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopentylsulfonylethyl)-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCN1CCN2CC(CC2=O)C3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations