On the spectroscopic analyses of (E)-3-(dicyclopropyl methylene)-dihydro-4-[1-(2,5 dimethylfuran-3-yl) ethylidene]furan-2,5-dione

► DFT as well as FTIR were utilized to analyze DCPF. ► Vibrational assignments for DCPF isomers were aided at B3LYP/6-311G(d,p). ► C isomer is a promising structure for solar cells due to its high dipole moment (7.7 Debye) and lower HOMO/LUMO band gap (2.7 eV).