A combined experimental and theoretical quantum chemical studies on 4-morpholinecarboxaldehyde

► FTIR and FT-Raman investigations of 4-marpholinecarboxaldehyde were carried out. ► Energy, structural and thermodynamical characteristics of 4MC were determined. ► The chair-equatorial conformer of 4MC is the most stable. ► Energy difference between chair-equatorial and chair-axial conformers was calculated. ► Effect of carbonyl group on the frequencies of the morpholine ring has been analysed.