Molecule 1 (N -methyleneformamide) is a good example, with its gauche conformation being the most stable. The gauche conformation is lower in energy by 1.65 kcal/mol and 1.36 kcal/mol relative to the cis and trans conformations, respectively, as shown in Table . These values align with earlier computational studies Badawi (2002); Afanas . Appendix A illustrates that the gauche conformation adopts a non-planar geometry, reducing repulsive orbital interactions between π-and σ * -orbitals, which increases its stability .