Chemistry Reference
In-Depth Information
6
1-butyl-3,4-
dimethylpyridinium
tetrafluoroborate
(Py4-3Me-4Me BF4,
251.0716)
(C
11
H
18
BF
4
N
/952429-71-9)
1.785
23.65
257.5566126
3399.443
0.00811164
95.8252
0.0333373
0.34587
4.4651
{-2.17025,
-0.201367,
-0.116943,
1.85194};
E
v
=
+1.68743;
LUMO2 =
1.679556;
Dv =
0.007874;
D
=
63.5081
log
10
EC
50
=1.1
7
1-butyl-3,5-
dimethylpyridinium
tetrafluoroborate
(Py4-3Me-5Me BF4, )
(251.0716
C
11
H
18
BF
4
N/952429-72-
0)
3.990
23.65
175.4944484
3317.380
0.00166361
99.0774
0.0727198
1.57752
4.5755
{-2.14407,
-0.252448,
-0.0658616,
1.82576};
E
v
=
-1.8742452;
HOMO1=
-7.805681
log
10
EC
50
=1.17
