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Very often the application of quantum mechanics into chemistry represents a challenging task for chemistry students. However, this can be very usual exercise, and we have shown the easiness on the molecule of 3-aminopropenal, which is an interesting example because of the existence of the conjugation system consisting of the carbonyl group, alkenyl system and the lone electronic pair on nitrogen without any symmetry. Coefficients obtained using the Hückel secular determinant were 2.0484, -1.7328, -0.7827, +0.4892 and +1.5747.

Application of Huckel Molecular Orbital Theory (HMO) on Hetero-Conjugated Molecule, 3-Aminopropenal