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Table 5 Mulliken charges and Fukui function for 6 as electrophilicity theoretical descriptors

From: Single-step synthesis of a new series of meso di-Mannich bases from the cyclic aminal (2S,7R,11S,16R)-1,8,10,17-tetraazapentacyclo[8.8.1.1.8,170.2,7011,16]icosane and p-substituted phenols

 

Mulliken charges

Fukui function

C9

0.447

0.019

C18

0.447

0.019

C19

0.467

0.030

C20

0.356

0.027

  1. Table 5 shows the results for computational calculations: Mulliken charges and Fukui function in each carbon atom of the cyclic aminal 6.
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BMC Chemistry

ISSN: 2661-801X

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