1991
DOI: 10.1002/bscb.19911000403
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A Semi‐empirical Theoretical Study of the Structure of Pyrazolidinones and Related Compounds

Abstract: INDO and AM1 calculatlons with complete optimization of the geometrv have been performed on seven pyrazolldinones (neutral, cations and zwitterions) and the corresponding pyrazolinones. The geometrles, dipole moments and energies are discussed. Both methods yield acceptable results, INDC being better for the energies and A111 for the geometrles.Pyrazolidinones are a rather neglected family of heterocyclic compounds although they inclucie one of the most studied heterocycles, phenidone (l-phenylpyrazolidin-3-on… Show more

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