The primary method for identifying ISM molecules relies on the analysis of spectral lines in the microwave region of the electromagnetic spectrum. These lines correspond to transitions between rotational states and provide precise information about a molecule's moments of inertia . Quantum chemical calculations of equilibrium geometries enable the determination of moments of inertia and spectroscopic constants, which can be matched with observed microwave spectral lines to identify molecules in the ISM or CSE. When multiple conformers are possible, relative energies are calculated, and the spectroscopic constants of the most stable conformer are used for identification. This computational approach has been successfully applied to molecules such as imine acetaldehyde . In this study, we conduct a similar investigation into the conformers of molecules identified through our screening process and use high-accuracy quantum chemical methods to report their structures and spectroscopic properties.