List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
55101 |
17389765 |
2 |
NOC6H7 |
ABC6D7 |
-74.83 |
1.85 |
-8.8 |
-0.11 |
0 |
|
|
55102 |
17389766 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-111.31 |
2.63 |
-8.49 |
-0.09 |
0 |
|
|
55103 |
17389767 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-107.8 |
2.23 |
-8.86 |
-0.24 |
0 |
|
|
55104 |
17389769 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-81.11 |
7.48 |
-8.77 |
-0.08 |
0 |
|
|
55105 |
17389770 |
1 |
ClN2O2F3H10C12 |
AB2C2D3E10F12 |
-233.73 |
4.17 |
-9.7 |
-1.17 |
0 |
|
|
55106 |
17389772 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-84.74 |
2.03 |
-9.02 |
-0.39 |
0 |
|
|
55107 |
17389773 |
1 |
NO6C15H19 |
AB6C15D19 |
-221.9 |
2.7 |
-8.59 |
-1.23 |
0 |
|
|
55108 |
17389774 |
1 |
ClNO4C14H18 |
ABC4D14E18 |
-174.3 |
12.31 |
-9.59 |
-0.82 |
0 |
|
|
55109 |
17389775 |
1 |
ClNC12H16 |
ABC12D16 |
2.04 |
2.45 |
-8.79 |
0.16 |
0 |
|
|
55110 |
17389776 |
1 |
BrNO2H12C13 |
ABC2D12E13 |
-35.71 |
3.43 |
-9.31 |
-0.99 |
0 |
|
|
55111 |
17389777 |
2 |
NOH9C11 |
ABC9D11 |
14.4 |
4.31 |
-9.23 |
-1.07 |
0 |
|
|
55112 |
17389778 |
1 |
O2N3C11H11 |
A2B3C11D11 |
-11.81 |
4.65 |
-9.32 |
-1.23 |
0 |
|
|
55113 |
17389780 |
1 |
N2O2H18C21 |
A2B2C18D21 |
-8.74 |
5.77 |
-9.1 |
-0.96 |
0 |
|
|
55114 |
17389781 |
2 |
NOC6H7 |
ABC6D7 |
-49.51 |
6.21 |
-9.68 |
-0.64 |
0 |
|
|
55115 |
17389782 |
2 |
NOC7H8 |
ABC7D8 |
-33.42 |
3.52 |
-9.33 |
-1.09 |
0 |
|
|
55116 |
17389783 |
2 |
NOH11C12 |
ABC11D12 |
7.91 |
3.19 |
-9.12 |
-1.28 |
0 |
|
|
55117 |
17389784 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-57.34 |
5.52 |
-9.52 |
-1.21 |
0 |
|
|
55118 |
17389785 |
1 |
ON2C11H16 |
AB2C11D16 |
-17.86 |
3.68 |
-9.48 |
-0.93 |
0 |
|
|
55119 |
17389786 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-50.08 |
3.62 |
-9.51 |
-0.84 |
0 |
|
|
55120 |
17389787 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-124.11 |
2.83 |
-8.29 |
-1.46 |
0 |
|
|
55121 |
17389788 |
1 |
NF5C14H16 |
AB5C14D16 |
-241.69 |
2.84 |
-9.34 |
0.0 |
0 |
|
|
55122 |
17389789 |
1 |
ClN2C13H21 |
AB2C13D21 |
-34.72 |
1.98 |
-8.31 |
0.2 |
0 |
|
|
55123 |
17389791 |
1 |
FN2O4C16H23 |
AB2C4D16E23 |
-206.05 |
1.99 |
-9.24 |
-0.91 |
0 |
|
|
55124 |
17389793 |
1 |
NO5C8H17 |
AB5C8D17 |
-230.12 |
3.55 |
-9.73 |
-1.51 |
0 |
|
|
55125 |
17389795 |
1 |
NO7C12H17 |
AB7C12D17 |
-268.04 |
3.0 |
-8.96 |
-1.15 |
0 |
|
|
55126 |
17389796 |
1 |
NO3C10H15 |
AB3C10D15 |
-107.36 |
2.5 |
-8.73 |
0.25 |
0 |
|
|
55127 |
17389797 |
1 |
ClN2O8C15H19 |
AB2C8D15E19 |
-323.56 |
2.73 |
-8.37 |
-1.5 |
0 |
|
|
55128 |
17389798 |
1 |
ClN2C11H15 |
AB2C11D15 |
7.98 |
4.44 |
-8.2 |
0.28 |
0 |
|
|
55129 |
17389799 |
1 |
ClN2O8C15H19 |
AB2C8D15E19 |
-296.34 |
4.54 |
-8.22 |
-0.76 |
0 |
|
|
55130 |
17389800 |
1 |
ClN2C11H15 |
AB2C11D15 |
7.25 |
4.71 |
-8.32 |
0.14 |
0 |
|
|
55131 |
17389801 |
1 |
N2O8C15H20 |
A2B8C15D20 |
-323.84 |
14.14 |
-9.26 |
-0.36 |
0 |
|
|
55132 |
17389802 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-74.21 |
2.73 |
-9.21 |
-0.53 |
0 |
|
|
55133 |
17389803 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-36.75 |
6.55 |
-8.19 |
-0.36 |
0 |
|
|
55134 |
17389805 |
1 |
BrNSC8H10 |
ABCD8E10 |
24.02 |
3.82 |
-8.84 |
-0.14 |
0 |
|
|
55135 |
17389806 |
1 |
BrClNSC9H13 |
ABCDE9F13 |
-14.62 |
3.35 |
-9.1 |
-0.46 |
0 |
|
|
55136 |
17389807 |
1 |
BrNSC9H12 |
ABCD9E12 |
20.45 |
2.95 |
-8.98 |
-0.31 |
0 |
|
|
55137 |
17389808 |
1 |
NO5C14H15 |
AB5C14D15 |
-182.06 |
3.52 |
-9.71 |
-1.08 |
0 |
|
|
55138 |
17389809 |
1 |
NO6C13H19 |
AB6C13D19 |
-238.91 |
3.7 |
-8.94 |
-1.18 |
0 |
|
|
55139 |
17389811 |
1 |
NO6C18H21 |
AB6C18D21 |
-210.73 |
4.25 |
-9.01 |
-0.58 |
0 |
|
|
55140 |
17389812 |
1 |
NO2C16H19 |
AB2C16D19 |
-44.73 |
1.74 |
-8.83 |
0.1 |
0 |
|
|
55141 |
17389813 |
1 |
NO2C10H15 |
AB2C10D15 |
-71.45 |
1.38 |
-8.74 |
0.18 |
0 |
|
|
55142 |
17389814 |
1 |
ClNO3C13H20 |
ABC3D13E20 |
-128.13 |
1.95 |
-8.2 |
0.15 |
0 |
|
|
55143 |
17389815 |
1 |
N3O4C13H25 |
A3B4C13D25 |
-168.62 |
3.66 |
-8.39 |
-1.5 |
0 |
|
|
55144 |
17389816 |
1 |
N3C11H23 |
A3B11C23 |
-12.39 |
2.01 |
-8.26 |
2.47 |
0 |
|
|
55145 |
17389817 |
1 |
ClNC12H18 |
ABC12D18 |
-27.9 |
0.98 |
-9.07 |
0.26 |
0 |
|
|
55146 |
17389818 |
1 |
N3O4C15H29 |
A3B4C15D29 |
-180.44 |
1.68 |
-8.16 |
-1.33 |
0 |
|
|
55147 |
17389820 |
1 |
ClO2N3C8H8 |
AB2C3D8E8 |
-57.24 |
8.57 |
-9.23 |
-1.14 |
0 |
|
|
55148 |
17389821 |
1 |
NO3C13H19 |
AB3C13D19 |
-117.16 |
0.56 |
-9.34 |
-0.44 |
0 |
|
|
55149 |
17389823 |
1 |
ClN3C5H10 |
AB3C5D10 |
-5.23 |
7.8 |
-9.9 |
0.16 |
0 |
|
|
55150 |
17389824 |
1 |
NOC10H15 |
ABC10D15 |
-42.45 |
2.37 |
-9.05 |
0.36 |
0 |
|
|
55151 |
17389825 |
1 |
NOC10H15 |
ABC10D15 |
-42.39 |
2.68 |
-9.05 |
0.33 |
0 |
|
|
55152 |
17389826 |
1 |
NOC11H17 |
ABC11D17 |
-43.04 |
2.09 |
-9.21 |
0.28 |
0 |
|
|
55153 |
17389828 |
1 |
NO7C12H17 |
AB7C12D17 |
-264.21 |
4.15 |
-8.61 |
-1.23 |
0 |
|
|
55154 |
17389831 |
1 |
ClNO4H10C12 |
ABC4D10E12 |
-91.11 |
2.57 |
-9.44 |
-1.22 |
0 |
|
|
55155 |
17389832 |
1 |
NO2C12H19 |
AB2C12D19 |
-82.25 |
4.0 |
-8.83 |
0.43 |
0 |
|
|
55156 |
17389833 |
1 |
NO2C10H15 |
AB2C10D15 |
-75.83 |
3.32 |
-9.37 |
0.29 |
0 |
|
|
55157 |
17389835 |
1 |
NO3C11H15 |
AB3C11D15 |
-109.64 |
5.5 |
-9.85 |
-1.06 |
0 |
|
|
55158 |
17389836 |
1 |
NO3H13C14 |
AB3C13D14 |
-67.37 |
5.05 |
-9.73 |
-1.0 |
0 |
|
|
55159 |
17389837 |
1 |
NO3C11H15 |
AB3C11D15 |
-109.48 |
4.99 |
-9.77 |
-0.98 |
0 |
|
|
55160 |
17389838 |
1 |
NO3H11C13 |
AB3C11D13 |
-55.51 |
5.0 |
-9.61 |
-0.71 |
0 |
|
|
55161 |
17389839 |
1 |
BrN5H6C9 |
AB5C6D9 |
100.42 |
4.78 |
-9.03 |
-1.03 |
0 |
|
|
55162 |
17389840 |
1 |
SO3N6C13H14 |
AB3C6D13E14 |
-20.35 |
7.78 |
-9.23 |
-1.27 |
0 |
|
|
55163 |
17389841 |
1 |
SO2N6C14H16 |
AB2C6D14E16 |
7.65 |
6.83 |
-9.14 |
-1.15 |
0 |
|
|
55164 |
17389842 |
1 |
SO2N6C13H16 |
AB2C6D13E16 |
5.3 |
6.67 |
-9.11 |
-1.13 |
0 |
|
|
55165 |
17389844 |
1 |
N2O5C13H24 |
A2B5C13D24 |
-239.28 |
9.32 |
-9.35 |
0.03 |
0 |
|
|
55166 |
17389846 |
1 |
N3C12H25 |
A3B12C25 |
-11.35 |
2.28 |
-8.54 |
2.4 |
0 |
|
|
55167 |
17389847 |
1 |
N2O5C14H26 |
A2B5C14D26 |
-245.07 |
8.78 |
-9.24 |
0.12 |
0 |
|
|
55168 |
17389848 |
1 |
ON2C12H24 |
AB2C12D24 |
-67.41 |
2.22 |
-8.68 |
2.24 |
0 |
|
|
55169 |
17389849 |
1 |
N2O5C15H28 |
A2B5C15D28 |
-250.7 |
7.79 |
-9.57 |
0.19 |
0 |
|
|
55170 |
17389850 |
1 |
ON2C13H26 |
AB2C13D26 |
-72.06 |
1.75 |
-8.77 |
2.3 |
0 |
|
|
55171 |
17389851 |
1 |
OSCl2N2H8C16 |
ABC2D2E8F16 |
54.56 |
4.1 |
-9.09 |
-1.53 |
0 |
|
|
55172 |
17389852 |
1 |
ClNO2C8H16 |
ABC2D8E16 |
-141.3 |
6.83 |
-9.47 |
0.92 |
0 |
|
|
55173 |
17389853 |
1 |
ClNO3C8H16 |
ABC3D8E16 |
-183.78 |
3.63 |
-10.16 |
0.55 |
0 |
|
|
55174 |
17389854 |
1 |
SCl2N2O2C8H8 |
AB2C2D2E8F8 |
-81.92 |
6.13 |
-10.23 |
-1.63 |
0 |
|
|
55175 |
17389855 |
1 |
ClSN2O2H7C8 |
ABC2D2E7F8 |
-44.28 |
8.02 |
-9.93 |
-1.4 |
0 |
|
|
55176 |
17389856 |
1 |
SCl2N2O2C4H6 |
AB2C2D2E4F6 |
-101.9 |
4.28 |
-10.68 |
-1.32 |
0 |
|
|
55177 |
17389857 |
1 |
NNaSO3H8C10 |
ABCD3E8F10 |
-133.73 |
10.95 |
-9.61 |
-1.04 |
0 |
|
|
55178 |
17389858 |
1 |
NSO3H9C10 |
ABC3D9E10 |
-84.61 |
6.69 |
-9.93 |
-1.38 |
0 |
|
|
55179 |
17389859 |
1 |
NNaSO3C7H8 |
ABCD3E7F8 |
-152.84 |
6.77 |
-9.59 |
-0.03 |
0 |
|
|
55180 |
17389860 |
1 |
ClSO3C9H11 |
ABC3D9E11 |
-119.01 |
9.17 |
-9.74 |
-0.93 |
0 |
|
|
55181 |
17389861 |
1 |
BrClSO3H6C7 |
ABCD3E6F7 |
-94.33 |
8.52 |
-10.29 |
-1.25 |
0 |
|
|
55182 |
17389863 |
1 |
NO5C7H15 |
AB5C7D15 |
-226.41 |
3.64 |
-9.7 |
-1.6 |
0 |
|
|
55183 |
17389864 |
1 |
NO2C13H15 |
AB2C13D15 |
-46.83 |
1.77 |
-8.49 |
-0.41 |
0 |
|
|
55184 |
17389865 |
1 |
ClNO2C9H12 |
ABC2D9E12 |
-71.81 |
4.32 |
-8.9 |
-0.24 |
0 |
|
|
55185 |
17389866 |
1 |
NO8C13H19 |
AB8C13D19 |
-301.73 |
3.6 |
-8.5 |
-1.22 |
0 |
|
|
55186 |
17389867 |
1 |
NO4C11H17 |
AB4C11D17 |
-141.89 |
7.29 |
-8.28 |
-0.17 |
0 |
|
|
55187 |
17389868 |
1 |
FNO5C10H12 |
ABC5D10E12 |
-235.68 |
2.56 |
-10.03 |
-0.97 |
0 |
|
|
55188 |
17389870 |
1 |
NO6C14H21 |
AB6C14D21 |
-237.03 |
2.07 |
-8.87 |
-1.36 |
0 |
|
|
55189 |
17389871 |
1 |
NO6C16H17 |
AB6C16D17 |
-199.26 |
3.74 |
-9.22 |
-0.76 |
0 |
|
|
55190 |
17389872 |
1 |
NO2C14H15 |
AB2C14D15 |
-32.06 |
1.57 |
-8.94 |
-0.16 |
0 |
|
|
55191 |
17389873 |
1 |
NO6C13H19 |
AB6C13D19 |
-235.85 |
3.0 |
-8.81 |
-1.48 |
0 |
|
|
55192 |
17389874 |
1 |
NO2C11H17 |
AB2C11D17 |
-75.96 |
1.88 |
-8.74 |
0.19 |
0 |
|
|
55193 |
17389875 |
1 |
NO8C13H19 |
AB8C13D19 |
-296.15 |
5.23 |
-8.97 |
-1.53 |
0 |
|
|
55194 |
17389876 |
1 |
NO4C11H17 |
AB4C11D17 |
-138.0 |
5.4 |
-8.89 |
-0.06 |
0 |
|
|
55195 |
17389877 |
1 |
NO7C11H13 |
AB7C11D13 |
-261.76 |
8.34 |
-9.37 |
-0.93 |
0 |
|
|
55196 |
17389879 |
1 |
NOC11H17 |
ABC11D17 |
-50.71 |
2.15 |
-8.84 |
0.39 |
0 |
|
|
55197 |
17389880 |
1 |
N2O4C13H24 |
A2B4C13D24 |
-201.54 |
10.81 |
-9.15 |
0.22 |
0 |
|
|
55198 |
17389883 |
2 |
NC6H12 |
AB6C12 |
-26.79 |
2.45 |
-8.49 |
2.76 |
0 |
|
|
55199 |
17389886 |
1 |
N2O2C9H16 |
A2B2C9D16 |
-112.29 |
3.39 |
-9.72 |
0.62 |
0 |
|
|
55200 |
17389887 |
1 |
NO3C14H17 |
AB3C14D17 |
-115.5 |
3.64 |
-9.31 |
0.24 |
0 |