Geometry & MOs

Info

ID:	365648
PubChem CID:	127318369
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	234.097998
ΔH_f, kcal/mol:	-51.7
Dipole, Da:	7.59
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations