Minima for acetylcholine in water by AM1/COSMO
A D E δHf μ F % Cont. δHf Cont. μ
g- a s 5.35 10.85 0.37 36.80 1.97 3.99
g- g- s 5.5 9.38 0.29 28.57 1.57 2.68
g+ g+ s 5.72 9.44 0.20 19.70 1.13 1.86
g+ a s 6.44 8.66 0.06 5.84 0.38 0.51
a g+ s 6.62 9.24 0.04 4.31 0.29 0.40
g+ a a 7.3 12.6 0.01 1.37 0.10 0.17
g- a a 7.32 12.63 0.01 1.32 0.10 0.17
g- a a 7.36 12.58 0.01 1.23 0.09 0.16
g+ g+ a 7.95 12.72 0.00 0.46 0.04 0.06
g- g- a 8.02 12.72 0.00 0.41 0.03 0.05
5.68 10.04