Geometry & MOs

Info

ID:	145330
PubChem CID:	53501464
Reduced:	ON5C17H31 (1)
Stoich.:	AB5C17D31 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	3.97
IP(EA), eV:	-8.52(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylsulfonylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)C2=NN(C(=C2)C)C(C)(C)C

DOS

IR

Vibrations