Conversely, molecules with a single dominant conformer, like 13 (c-(CHCOCHN)CH 3 ), 14 (c-(CHNCHCHN)CH 3 ), and 16 ((CH 3 ) 2 CCHCN), are more likely to exhibit simple, well-defined spectra, aiding their detection in observational studies. These findings highlight the importance of analyzing diverse molecular types to better understand the processes that contribute to the formation of complex organic molecules in space.