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. 2016 Jan 4;7(3):266–270. doi: 10.1021/acsmedchemlett.5b00424

Table 2. Mulliken Charges for Compounds 1, 3, and 9a.

graphic file with name ml-2015-004247_0010.jpg

Mulliken charges 1 3 9
C1 0.21 0.14 0.09
N1 0.57 –0.23 –0.14
N2 NA 0.22 0.01
N3 NA –0.01 –0.05
a

The Mulliken charges are only shown for the numbered atoms for comparison.