Geometry & MOs

Info

ID:	198062
PubChem CID:	79040349
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	7.14
Dipole, Da:	9.79
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylcyclohexyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC(CN2C=C(C=N2)[N+](=O)[O-])O

DOS

IR

Vibrations