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. 2021 Apr 30;26(9):2623. doi: 10.3390/molecules26092623

Figure 1.

Figure 1

Diketone variant ONE with NH…O hydrogen bonding. Species ONE-A and ONE-B (which lacks the NH…O = H bond) proceed spontaneously upon optimization to ONE, which lies about 4.0 kJ/mol above the most stable isomer TWO.