List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
220759 |
85238928 |
1 |
O2C13H22 |
A2B13C22 |
-87.09 |
2.4 |
-9.85 |
0.96 |
0 |
|
|
220760 |
85238930 |
1 |
O3C11H20 |
A3B11C20 |
-156.25 |
3.8 |
-10.49 |
0.72 |
0 |
|
|
220761 |
85238970 |
3 |
OC4H4 |
AB4C4 |
-91.13 |
4.23 |
-9.18 |
-1.26 |
0 |
|
|
220762 |
85238976 |
1 |
ON2C12H16 |
AB2C12D16 |
-17.21 |
2.02 |
-9.49 |
0.35 |
0 |
|
|
220763 |
85239029 |
1 |
O2C13H20 |
A2B13C20 |
-107.88 |
2.24 |
-8.78 |
-0.06 |
0 |
|
|
220764 |
85239030 |
1 |
O2C13H20 |
A2B13C20 |
-88.13 |
1.32 |
-9.28 |
0.26 |
0 |
|
|
220766 |
85239061 |
1 |
NO2C12H21 |
AB2C12D21 |
-86.82 |
3.12 |
-8.82 |
1.43 |
0 |
|
|
220767 |
85239090 |
1 |
NO2C12H23 |
AB2C12D23 |
7.72 |
1.84 |
-8.7 |
1.5 |
0 |
|
|
220768 |
85239169 |
1 |
NO2C13H17 |
AB2C13D17 |
-51.56 |
4.15 |
-8.7 |
-0.16 |
0 |
|
|
220769 |
85239219 |
4 |
OC3H4 |
AB3C4 |
-154.77 |
1.85 |
-8.66 |
-0.02 |
0 |
|
|
220770 |
85239225 |
1 |
OC16H16 |
AB16C16 |
6.31 |
1.71 |
-9.2 |
-0.1 |
0 |
|
|
220771 |
85239259 |
1 |
O2N3C11H21 |
A2B3C11D21 |
-56.79 |
4.32 |
-8.87 |
0.04 |
0 |
|
|
220772 |
85239280 |
1 |
ON4C9H12 |
AB4C9D12 |
16.93 |
6.04 |
-9.19 |
-1.1 |
0 |
|
|
220773 |
85239285 |
1 |
NOC15H19 |
ABC15D19 |
45.3 |
1.61 |
-9.04 |
-0.51 |
0 |
|
|
220774 |
85239322 |
1 |
ClO2C12H21 |
AB2C12D21 |
-108.51 |
4.05 |
-9.87 |
-0.19 |
0 |
|
|
220775 |
85239374 |
1 |
OH16C17 |
AB16C17 |
13.1 |
3.84 |
-9.18 |
-0.51 |
0 |
|
|
220776 |
85239381 |
3 |
N2C3H4 |
A2B3C4 |
104.1 |
2.68 |
-9.13 |
-0.79 |
0 |
|
|
220777 |
85239400 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-102.92 |
4.03 |
-8.7 |
-0.95 |
0 |
|
|
220778 |
85239520 |
1 |
ON2C15H20 |
AB2C15D20 |
-11.39 |
3.4 |
-8.8 |
0.4 |
0 |
|
|
220779 |
85239531 |
1 |
FON5C11H12 |
ABC5D11E12 |
30.63 |
4.01 |
-9.58 |
-0.88 |
0 |
|
|
220780 |
85239633 |
1 |
NO4C13H17 |
AB4C13D17 |
-157.95 |
2.58 |
-10.48 |
-0.14 |
0 |
|
|
220781 |
85239664 |
2 |
OC8H14 |
AB8C14 |
-134.07 |
1.96 |
-9.45 |
1.03 |
0 |
|
|
220782 |
85239684 |
1 |
NOC17H19 |
ABC17D19 |
16.4 |
2.57 |
-8.58 |
0.16 |
0 |
|
|
220783 |
85239778 |
1 |
SiO3C13H26 |
AB3C13D26 |
-214.07 |
4.75 |
-9.0 |
0.73 |
0 |
|
|
220784 |
85239779 |
1 |
SiO2C14H30 |
AB2C14D30 |
-177.51 |
2.07 |
-8.78 |
0.88 |
0 |
|
|
220785 |
85239780 |
1 |
SiO2C14H30 |
AB2C14D30 |
-158.29 |
1.48 |
-8.86 |
1.0 |
0 |
|
|
220786 |
85239783 |
1 |
NO3C15H17 |
AB3C15D17 |
-39.34 |
2.65 |
-9.3 |
-0.37 |
0 |
|
|
220788 |
85239857 |
1 |
N3O4C12H13 |
A3B4C12D13 |
-100.29 |
1.96 |
-9.12 |
-1.29 |
0 |
|
|
220789 |
85239861 |
1 |
NO2H13C17 |
AB2C13D17 |
13.57 |
5.27 |
-9.51 |
-1.43 |
0 |
|
|
220790 |
85239862 |
1 |
NO3C15H21 |
AB3C15D21 |
-116.9 |
1.44 |
-9.76 |
-0.12 |
0 |
|
|
220792 |
85239870 |
1 |
ClOF3H3N3C9 |
ABC3D3E3F9 |
-75.54 |
2.22 |
-10.07 |
-2.33 |
0 |
|
|
220793 |
85239896 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-21.04 |
3.87 |
-8.83 |
0.76 |
0 |
|
|
220795 |
85239901 |
1 |
BrOC13H23 |
ABC13D23 |
-68.37 |
2.57 |
-9.34 |
0.45 |
0 |
|
|
220796 |
85239918 |
1 |
NC19H23 |
AB19C23 |
40.79 |
2.48 |
-8.12 |
0.1 |
0 |
|
|
220797 |
85239923 |
1 |
O5C14H18 |
A5B14C18 |
-203.01 |
3.96 |
-9.77 |
-0.08 |
0 |
|
|
220798 |
85239961 |
1 |
NS2C14H21 |
AB2C14D21 |
1.04 |
0.86 |
-8.38 |
0.46 |
0 |
|
|
220799 |
85239965 |
1 |
ClNOC15H22 |
ABCD15E22 |
-62.79 |
4.71 |
-8.73 |
0.27 |
0 |
|
|
220800 |
85239967 |
1 |
BrNC13H18 |
ABC13D18 |
24.63 |
12.51 |
-7.84 |
-0.33 |
0 |
|
|
220801 |
85239986 |
1 |
ON2C17H20 |
AB2C17D20 |
21.78 |
3.7 |
-9.0 |
0.11 |
0 |
|
|
220802 |
85239995 |
1 |
NO5C13H19 |
AB5C13D19 |
-187.74 |
3.48 |
-9.37 |
-0.4 |
0 |
|
|
220803 |
85240002 |
1 |
SN5C13H15 |
AB5C13D15 |
96.87 |
3.53 |
-8.84 |
-0.47 |
0 |
|
|
220804 |
85240015 |
2 |
ON3H4C6 |
AB3C4D6 |
134.31 |
8.22 |
-9.48 |
-3.34 |
0 |
|
|
220805 |
85240017 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-6.62 |
5.67 |
-8.77 |
-0.89 |
0 |
|
|
220806 |
85240041 |
1 |
N3O6C10H13 |
A3B6C10D13 |
-230.44 |
6.24 |
-10.0 |
-0.83 |
0 |
|
|
220807 |
85240047 |
1 |
O2N3C15H17 |
A2B3C15D17 |
-11.3 |
3.13 |
-9.3 |
-0.64 |
0 |
|
|
220808 |
85240056 |
2 |
NO2H5C7 |
AB2C5D7 |
-38.24 |
7.15 |
-9.07 |
-1.57 |
0 |
|
|
220809 |
85240060 |
1 |
O6C13H20 |
A6B13C20 |
-264.23 |
1.78 |
-10.21 |
0.37 |
0 |
|
|
220810 |
85240069 |
1 |
O3C17H20 |
A3B17C20 |
-63.94 |
2.82 |
-9.46 |
-0.34 |
0 |
|
|
220811 |
85240072 |
1 |
SO4C13H20 |
AB4C13D20 |
-169.7 |
6.21 |
-9.69 |
0.04 |
0 |
|
|
220812 |
85240079 |
1 |
SiN2C16H24 |
AB2C16D24 |
33.29 |
5.37 |
-8.61 |
-0.04 |
0 |