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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
300783 |
123055001 |
1 |
N2O7C30H30 |
A2B7C30D30 |
-150.38 |
7.7 |
-8.65 |
-1.67 |
0 |
|
|
300784 |
123055002 |
1 |
N2O9H24C28 |
A2B9C24D28 |
-199.96 |
4.53 |
-8.42 |
-1.52 |
0 |
|
|
300785 |
123055003 |
1 |
N2O9H22C27 |
A2B9C22D27 |
-189.86 |
7.66 |
-8.52 |
-1.73 |
0 |
|
|
300786 |
123055004 |
1 |
N2O9H26C28 |
A2B9C26D28 |
-202.65 |
6.73 |
-8.1 |
-1.51 |
0 |
|
|
300787 |
123055005 |
2 |
NO4C15H15 |
AB4C15D15 |
-188.87 |
4.73 |
-8.43 |
-1.64 |
0 |
|
|
300788 |
123055006 |
1 |
ClN2O8H23C27 |
AB2C8D23E27 |
-174.41 |
7.36 |
-8.5 |
-1.59 |
0 |
|
|
300789 |
123055009 |
1 |
Cl2N2O7H20C26 |
A2B2C7D20E26 |
-142.06 |
9.9 |
-9.03 |
-1.89 |
0 |
|
|
300790 |
123055010 |
1 |
Cl2N2O7H20C26 |
A2B2C7D20E26 |
-146.36 |
8.65 |
-9.36 |
-1.86 |
0 |
|
|
300791 |
123055013 |
1 |
N2O9H24C28 |
A2B9C24D28 |
-212.22 |
9.95 |
-9.26 |
-1.8 |
0 |
|
|
300792 |
123055015 |
1 |
N2O9H24C28 |
A2B9C24D28 |
-211.17 |
8.27 |
-9.16 |
-1.77 |
0 |
|
|
300793 |
123055021 |
2 |
NO4H13C14 |
AB4C13D14 |
-179.86 |
6.92 |
-8.52 |
-1.73 |
0 |
|
|
300794 |
123055022 |
1 |
N2O9H24C28 |
A2B9C24D28 |
-219.9 |
9.72 |
-9.18 |
-1.66 |
0 |
|
|
300795 |
123055026 |
1 |
N2O8H28C29 |
A2B8C28D29 |
-181.32 |
8.87 |
-8.3 |
-1.76 |
0 |
|
|
300796 |
123055029 |
1 |
N2O8H24C27 |
A2B8C24D27 |
-161.63 |
8.17 |
-8.96 |
-1.52 |
0 |
|
|
300797 |
123055040 |
1 |
N3O4C33H37 |
A3B4C33D37 |
-85.75 |
5.46 |
-7.8 |
-0.86 |
0 |
|
|
300798 |
123055045 |
1 |
NO6C32H35 |
AB6C32D35 |
-176.07 |
5.41 |
-7.89 |
-0.9 |
0 |
|
|
300799 |
123055046 |
1 |
NO5H33C35 |
AB5C33D35 |
-100.01 |
7.31 |
-8.26 |
-0.88 |
0 |
|
|
300800 |
123055047 |
1 |
NO5C32H35 |
AB5C32D35 |
-145.23 |
4.89 |
-8.22 |
-0.87 |
0 |
|
|
300801 |
123055050 |
1 |
NCl2O4H25C28 |
AB2C4D25E28 |
-108.34 |
7.51 |
-9.19 |
-1.16 |
0 |
|
|
300802 |
123055052 |
1 |
NO6C32H33 |
AB6C32D33 |
-189.28 |
4.63 |
-8.7 |
-0.99 |
0 |
|
|
300803 |
123055054 |
1 |
NO6C31H31 |
AB6C31D31 |
-182.13 |
10.2 |
-9.05 |
-1.1 |
0 |
|
|
300804 |
123055056 |
1 |
NO6C31H31 |
AB6C31D31 |
-180.65 |
6.93 |
-8.97 |
-1.03 |
0 |
|
|
300805 |
123055063 |
1 |
SN2O6C28H28 |
AB2C6D28E28 |
-165.01 |
12.6 |
-9.27 |
-1.22 |
0 |
|
|
300806 |
123055066 |
1 |
NO5H33C35 |
AB5C33D35 |
-106.17 |
6.62 |
-8.64 |
-1.0 |
0 |
|
|
300807 |
123055079 |
1 |
NO5H31C34 |
AB5C31D34 |
-97.19 |
10.17 |
-8.87 |
-1.02 |
0 |
|
|
300808 |
123055084 |
1 |
NO6C32H33 |
AB6C32D33 |
-186.41 |
9.28 |
-8.97 |
-1.01 |
0 |
|
|
300809 |
123055087 |
1 |
NO6C31H31 |
AB6C31D31 |
-181.99 |
7.89 |
-9.07 |
-1.13 |
0 |
|
|
300810 |
123055096 |
1 |
BrNO5H24C27 |
ABC5D24E27 |
-113.9 |
8.2 |
-8.62 |
-1.11 |
0 |
|
|
300811 |
123055097 |
1 |
BrNO5H26C28 |
ABC5D26E28 |
-117.67 |
6.99 |
-8.77 |
-1.1 |
0 |
|
|
300812 |
123055102 |
1 |
BrFNO4H21C26 |
ABCD4E21F26 |
-119.58 |
9.64 |
-9.01 |
-1.18 |
0 |
|
|
300813 |
123055105 |
1 |
BrClFNO4H20C26 |
ABCDE4F20G26 |
-126.37 |
10.77 |
-8.99 |
-1.24 |
0 |
|
|
300814 |
123055106 |
1 |
BrNO4H26C28 |
ABC4D26E28 |
-92.34 |
6.43 |
-8.74 |
-1.05 |
0 |
|
|
300815 |
123055107 |
1 |
BrNO4H24C27 |
ABC4D24E27 |
-81.68 |
6.37 |
-8.78 |
-1.09 |
0 |
|
|
300816 |
123055109 |
1 |
BrNO4H26C28 |
ABC4D26E28 |
-82.94 |
7.34 |
-8.66 |
-1.11 |
0 |
|
|
300817 |
123055110 |
1 |
BrNO5H22C26 |
ABC5D22E26 |
-111.86 |
7.25 |
-8.65 |
-0.9 |
0 |
|
|
300818 |
123055111 |
1 |
BrClNO4H23C27 |
ABCD4E23F27 |
-87.66 |
7.62 |
-9.22 |
-1.11 |
0 |
|
|
300819 |
123055116 |
1 |
BrNO4H26C28 |
ABC4D26E28 |
-87.82 |
6.87 |
-8.95 |
-1.0 |
0 |
|
|
300820 |
123055122 |
1 |
BrNO4H24C27 |
ABC4D24E27 |
-78.77 |
5.71 |
-8.6 |
-1.02 |
0 |
|
|
300821 |
123055124 |
1 |
BrClNO4H23C27 |
ABCD4E23F27 |
-90.33 |
8.5 |
-8.8 |
-1.16 |
0 |
|
|
300822 |
123055125 |
1 |
BrClNO4H23C27 |
ABCD4E23F27 |
-89.17 |
8.33 |
-9.13 |
-1.12 |
0 |
|
|
300823 |
123055127 |
1 |
BrNO5H24C27 |
ABC5D24E27 |
-123.58 |
6.12 |
-8.63 |
-1.0 |
0 |
|
|
300824 |
123055128 |
1 |
BrNO4H26C28 |
ABC4D26E28 |
-88.55 |
6.84 |
-8.97 |
-0.98 |
0 |
|
|
300825 |
123055130 |
1 |
BrNO4H24C27 |
ABC4D24E27 |
-77.89 |
7.34 |
-9.15 |
-1.02 |
0 |
|
|
300826 |
123055131 |
1 |
BrNF2O4H20C26 |
ABC2D4E20F26 |
-160.42 |
7.92 |
-9.4 |
-0.96 |
0 |
|
|
300827 |
123055138 |
2 |
NO3C15H15 |
AB3C15D15 |
-157.08 |
9.32 |
-7.87 |
-0.6 |
0 |
|
|
300828 |
123055139 |
1 |
NO6C31H31 |
AB6C31D31 |
-180.31 |
9.11 |
-8.53 |
-0.94 |
0 |
|
|
300829 |
123055141 |
1 |
NO8H27C30 |
AB8C27D30 |
-231.84 |
10.39 |
-8.19 |
-0.69 |
0 |
|
|
300830 |
123055142 |
1 |
NO8H25C29 |
AB8C25D29 |
-222.04 |
10.08 |
-8.32 |
-0.78 |
0 |
|
|
300831 |
123055145 |
1 |
ClNO7H26C29 |
ABC7D26E29 |
-207.52 |
8.5 |
-8.28 |
-1.0 |
0 |
|
|
300832 |
123055154 |
1 |
NO8H27C30 |
AB8C27D30 |
-244.37 |
11.89 |
-8.96 |
-0.8 |
0 |
|
|
300833 |
123055155 |
1 |
NO8H29C31 |
AB8C29D31 |
-253.14 |
9.69 |
-8.94 |
-1.09 |
0 |
|
|
300834 |
123055157 |
1 |
NF3O6H24C29 |
AB3C6D24E29 |
-322.29 |
9.41 |
-9.05 |
-0.9 |
0 |
|
|
300835 |
123055158 |
1 |
ClNO6H26C29 |
ABC6D26E29 |
-179.61 |
8.63 |
-9.05 |
-1.03 |
0 |
|
|
300836 |
123055159 |
1 |
NO7H29C30 |
AB7C29D30 |
-207.22 |
5.76 |
-8.18 |
-0.93 |
0 |
|
|
300837 |
123055161 |
1 |
ClNO6H24C28 |
ABC6D24E28 |
-170.85 |
8.28 |
-8.68 |
-1.03 |
0 |
|
|
300838 |
123055163 |
1 |
N2O7H28C30 |
A2B7C28D30 |
-211.6 |
8.1 |
-8.18 |
-0.96 |
0 |
|
|
300839 |
123055164 |
1 |
NO7C31H31 |
AB7C31D31 |
-215.36 |
7.98 |
-8.08 |
-0.82 |
0 |
|
|
300840 |
123055166 |
1 |
NO7C31H31 |
AB7C31D31 |
-211.52 |
7.35 |
-8.51 |
-0.88 |
0 |
|
|
300841 |
123055168 |
1 |
ClNO6H26C29 |
ABC6D26E29 |
-179.62 |
9.02 |
-9.02 |
-1.04 |
0 |
|
|
300842 |
123055178 |
2 |
NO3C16H17 |
AB3C16D17 |
-177.28 |
10.49 |
-7.64 |
-0.89 |
0 |
|
|
300843 |
123055181 |
1 |
NO6C32H33 |
AB6C32D33 |
-185.47 |
9.82 |
-8.4 |
-0.83 |
0 |
|
|
300844 |
123055188 |
1 |
ClFNO6H23C28 |
ABCD6E23F28 |
-213.81 |
14.78 |
-8.86 |
-0.9 |
0 |
|
|
300845 |
123055190 |
1 |
NCl2O6H23C28 |
AB2C6D23E28 |
-182.27 |
9.91 |
-9.12 |
-1.11 |
0 |
|
|
300846 |
123055191 |
1 |
NO6C32H33 |
AB6C32D33 |
-189.28 |
10.15 |
-8.52 |
-0.99 |
0 |
|
|
300847 |
123055193 |
1 |
NO8H27C30 |
AB8C27D30 |
-248.24 |
11.55 |
-9.02 |
-1.07 |
0 |
|
|
300848 |
123055197 |
1 |
ClNO6H26C29 |
ABC6D26E29 |
-178.71 |
9.19 |
-9.11 |
-0.96 |
0 |
|
|
300849 |
123055202 |
1 |
ClNO6H24C28 |
ABC6D24E28 |
-171.47 |
11.3 |
-8.66 |
-1.01 |
0 |
|
|
300850 |
123055203 |
1 |
ClNO6H24C28 |
ABC6D24E28 |
-171.89 |
12.24 |
-8.88 |
-1.0 |
0 |
|
|
300851 |
123055206 |
1 |
NO6H27C32 |
AB6C27D32 |
-140.43 |
11.98 |
-8.72 |
-0.66 |
0 |
|
|
300852 |
123055207 |
1 |
NO7C31H31 |
AB7C31D31 |
-218.15 |
10.67 |
-8.48 |
-1.0 |
0 |
|
|
300853 |
123055210 |
1 |
ClNO7H24C28 |
ABC7D24E28 |
-211.4 |
12.02 |
-8.83 |
-1.02 |
0 |
|
|
300854 |
123055211 |
1 |
NF3O6H24C29 |
AB3C6D24E29 |
-323.09 |
14.52 |
-9.1 |
-0.97 |
0 |
|
|
300855 |
123055214 |
1 |
N2O7H28C30 |
A2B7C28D30 |
-213.09 |
15.83 |
-8.4 |
-0.78 |
0 |
|
|
300856 |
123055219 |
1 |
NO9H27C30 |
AB9C27D30 |
-257.0 |
12.62 |
-8.2 |
-0.73 |
0 |
|
|
300857 |
123055224 |
1 |
NO7H29C30 |
AB7C29D30 |
-210.58 |
8.5 |
-8.6 |
-0.94 |
0 |
|
|
300858 |
123055227 |
1 |
NO8H29C30 |
AB8C29D30 |
-234.36 |
12.78 |
-8.1 |
-0.68 |
0 |
|
|
300859 |
123055228 |
1 |
NO7C31H31 |
AB7C31D31 |
-218.66 |
8.73 |
-8.36 |
-0.89 |
0 |
|
|
300860 |
123055233 |
1 |
ClNO7H26C29 |
ABC7D26E29 |
-204.47 |
13.43 |
-8.79 |
-0.76 |
0 |
|
|
300861 |
123055235 |
1 |
NO8H29C30 |
AB8C29D30 |
-228.67 |
9.43 |
-8.59 |
-0.9 |
0 |
|
|
300862 |
123055241 |
1 |
NF2O7H25C29 |
AB2C7D25E29 |
-285.3 |
11.32 |
-8.89 |
-0.77 |
0 |
|
|
300863 |
123055243 |
1 |
NF3O7H24C28 |
AB3C7D24E28 |
-353.87 |
14.9 |
-8.72 |
-0.94 |
0 |
|
|
300864 |
123055245 |
1 |
NO8C29H29 |
AB8C29D29 |
-236.54 |
9.08 |
-8.5 |
-0.98 |
0 |
|
|
300865 |
123055248 |
1 |
N2O6C31H32 |
A2B6C31D32 |
-154.44 |
8.21 |
-7.82 |
-0.89 |
0 |
|
|
300866 |
123055250 |
1 |
NO6C31H33 |
AB6C31D33 |
-174.35 |
8.64 |
-8.43 |
-0.82 |
0 |
|
|
300867 |
123055254 |
1 |
NO8C31H33 |
AB8C31D33 |
-239.19 |
7.99 |
-7.94 |
-0.97 |
0 |
|
|
300868 |
123055257 |
1 |
ClFNO6H23C27 |
ABCD6E23F27 |
-206.3 |
12.09 |
-8.64 |
-1.04 |
0 |
|
|
300869 |
123055258 |
1 |
NCl2O6H23C27 |
AB2C6D23E27 |
-166.86 |
12.25 |
-8.64 |
-1.08 |
0 |
|
|
300870 |
123055272 |
1 |
NF3O6H24C28 |
AB3C6D24E28 |
-312.31 |
9.91 |
-8.7 |
-0.9 |
0 |
|
|
300871 |
123055285 |
1 |
BrNO6H24C27 |
ABC6D24E27 |
-149.56 |
10.07 |
-8.58 |
-1.1 |
0 |
|
|
300872 |
123055287 |
1 |
N2O7H28C29 |
A2B7C28D29 |
-201.04 |
14.58 |
-8.58 |
-0.78 |
0 |
|
|
300873 |
123055289 |
1 |
FNO6C31H32 |
ABC6D31E32 |
-218.18 |
10.34 |
-8.51 |
-1.1 |
0 |
|
|
300874 |
123055290 |
1 |
FNO6C31H32 |
ABC6D31E32 |
-217.05 |
10.33 |
-8.46 |
-1.17 |
0 |
|
|
300875 |
123055291 |
1 |
NO6C33H37 |
AB6C33D37 |
-190.13 |
9.37 |
-8.38 |
-1.04 |
0 |
|
|
300876 |
123055292 |
1 |
NO6C32H35 |
AB6C32D35 |
-180.89 |
8.7 |
-8.42 |
-0.95 |
0 |
|
|
300877 |
123055293 |
1 |
NO6C33H37 |
AB6C33D37 |
-183.33 |
9.28 |
-8.41 |
-0.94 |
0 |
|
|
300878 |
123055294 |
1 |
NO7C31H33 |
AB7C31D33 |
-211.46 |
10.03 |
-8.29 |
-1.03 |
0 |
|
|
300879 |
123055296 |
1 |
NO6C33H37 |
AB6C33D37 |
-184.58 |
7.64 |
-8.34 |
-0.86 |
0 |
|
|
300880 |
123055297 |
1 |
NO6C33H37 |
AB6C33D37 |
-186.22 |
8.47 |
-8.38 |
-0.97 |
0 |
|
|
300881 |
123055298 |
1 |
NO6C33H37 |
AB6C33D37 |
-181.72 |
7.76 |
-8.58 |
-0.8 |
0 |
|
|
300882 |
123055301 |
1 |
NO7C32H35 |
AB7C32D35 |
-206.09 |
7.05 |
-8.67 |
-1.06 |
0 |