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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9778 |
93287 |
1 |
NC16H19 |
AB16C19 |
35.58 |
1.36 |
-8.96 |
0.32 |
0 |
|
|
9779 |
93290 |
6 |
CH2 |
AB2 |
-7.85 |
0.56 |
-10.31 |
2.84 |
0 |
|
|
9780 |
93291 |
1 |
ClOH11C13 |
ABC11D13 |
1.02 |
2.3 |
-9.1 |
-0.34 |
0 |
|
|
9781 |
93293 |
1 |
CHgSH4 |
ABCD4 |
15.67 |
3.29 |
-8.93 |
-0.87 |
0 |
|
|
9782 |
93295 |
1 |
N2O3H10C12 |
A2B3C10D12 |
16.58 |
1.9 |
-9.41 |
-1.9 |
0 |
|
|
9783 |
93296 |
1 |
SN2O6C10H18 |
AB2C6D10E18 |
-244.63 |
2.49 |
-8.03 |
-1.04 |
0 |
|
|
9784 |
93303 |
1 |
N6O7C43H56 |
A6B7C43D56 |
-175.93 |
4.48 |
-8.24 |
-0.25 |
0 |
|
|
9785 |
93313 |
2 |
NSO4C7H8 |
ABC4D7E8 |
-261.61 |
0.58 |
-9.18 |
-1.16 |
0 |
|
|
9786 |
93314 |
1 |
ON2C8H18 |
AB2C8D18 |
-45.44 |
1.82 |
-8.65 |
0.58 |
0 |
|
|
9788 |
93324 |
1 |
OCl4C6H10 |
AB4C6D10 |
-98.09 |
1.33 |
-10.5 |
0.11 |
0 |
|
|
9789 |
93326 |
1 |
N2O4C9H12 |
A2B4C9D12 |
-80.3 |
5.28 |
-9.15 |
-0.86 |
0 |
|
|
9790 |
93335 |
2 |
NC9H12 |
AB9C12 |
24.01 |
3.75 |
-8.01 |
0.22 |
0 |
|
|
9791 |
93336 |
1 |
N3O4C7H11 |
A3B4C7D11 |
-75.52 |
5.6 |
-10.02 |
-1.19 |
0 |
|
|
9792 |
93364 |
1 |
ClN3O3H12C16 |
AB3C3D12E16 |
11.1 |
1.88 |
-9.9 |
-1.62 |
0 |
|
|
9793 |
93367 |
1 |
Li2S2N5H9O9C13 |
A2B2C5D9E9F13 |
-363.03 |
9.11 |
-9.61 |
-1.84 |
0 |
|
|
9794 |
93368 |
1 |
S2N5O9H11C13 |
A2B5C9D11E13 |
-290.17 |
3.81 |
-10.1 |
-2.27 |
0 |
|
|
9796 |
93375 |
1 |
OC9H14 |
AB9C14 |
-46.61 |
3.59 |
-9.44 |
0.61 |
0 |
|
|
9797 |
93393 |
2 |
SC5H11 |
AB5C11 |
-53.73 |
2.42 |
-8.63 |
-0.69 |
0 |
|
|
9798 |
93397 |
2 |
N2O2S2C6H11 |
A2B2C2D6E11 |
-82.07 |
1.21 |
-8.94 |
-1.12 |
0 |
|
|
9799 |
93404 |
2 |
SN3O7H18C24 |
AB3C7D18E24 |
-291.53 |
9.46 |
-8.84 |
-2.07 |
0 |
|
|
9800 |
93418 |
1 |
Cl3N8C35H69 |
A3B8C35D69 |
-28.07 |
16.48 |
-8.07 |
-2.81 |
0 |
|
|
9801 |
93425 |
1 |
SiN2O2C11H22 |
AB2C2D11E22 |
-58.55 |
3.25 |
-9.4 |
0.54 |
0 |
|
|
9802 |
93426 |
1 |
PO4C25H29 |
AB4C25D29 |
-212.78 |
2.05 |
-8.98 |
-0.05 |
0 |
|
|
9803 |
93427 |
1 |
PO4C26H31 |
AB4C26D31 |
-227.42 |
1.74 |
-8.84 |
0.07 |
0 |
|
|
9804 |
93429 |
1 |
PO4C23H25 |
AB4C23D25 |
-197.65 |
0.69 |
-9.06 |
-0.04 |
0 |
|
|
9805 |
93431 |
1 |
PO4C21H21 |
AB4C21D21 |
-178.34 |
2.24 |
-9.1 |
-0.04 |
0 |
|
|
9806 |
93435 |
1 |
PO4C25H29 |
AB4C25D29 |
-219.22 |
0.55 |
-8.94 |
0.01 |
0 |
|
|
9807 |
93437 |
1 |
PO4C24H27 |
AB4C24D27 |
-207.12 |
2.03 |
-9.03 |
-0.03 |
0 |
|
|
9808 |
93438 |
1 |
PO4C26H31 |
AB4C26D31 |
-229.43 |
0.62 |
-8.91 |
0.08 |
0 |
|
|
9809 |
93439 |
2 |
O2C8H15 |
A2B8C15 |
-244.44 |
2.0 |
-10.57 |
0.77 |
0 |
|
|
9810 |
93446 |
1 |
O5N6C11H14 |
A5B6C11D14 |
-4.85 |
4.61 |
-10.26 |
-1.61 |
0 |
|
|
9811 |
93448 |
1 |
SN2O3C6H12 |
AB2C3D6E12 |
-93.64 |
2.66 |
-8.96 |
-0.37 |
0 |
|
|
9812 |
93449 |
1 |
ClN2O4C17H25 |
AB2C4D17E25 |
-168.38 |
8.07 |
-8.49 |
-0.64 |
0 |
|
|
9813 |
93457 |
1 |
N2O11C31H36 |
A2B11C31D36 |
-414.06 |
7.9 |
-8.8 |
-2.05 |
0 |
|
|
9814 |
93460 |
1 |
ClPSN2O3C14H18 |
ABCD2E3F14G18 |
-147.7 |
2.07 |
-8.94 |
-0.85 |
0 |
|
|
9815 |
93462 |
1 |
Cl2O3C8H8 |
A2B3C8D8 |
-109.26 |
3.28 |
-8.84 |
-0.6 |
0 |
|
|
9816 |
93468 |
2 |
ClC5H6 |
AB5C6 |
-21.05 |
2.69 |
-9.34 |
-0.22 |
0 |
|
|
9817 |
93511 |
2 |
OH2Cl3C6 |
AB2C3D6 |
-65.33 |
1.8 |
-9.27 |
-1.14 |
0 |
|
|
9818 |
93527 |
1 |
SO3C14H22 |
AB3C14D22 |
-154.89 |
0.56 |
-8.73 |
-0.28 |
0 |
|
|
9819 |
93528 |
1 |
ClNO3C18H22 |
ABC3D18E22 |
-106.74 |
2.05 |
-8.86 |
-0.91 |
0 |
|
|
9820 |
93530 |
1 |
SiN3O4C14H29 |
AB3C4D14E29 |
-160.14 |
3.96 |
-9.16 |
0.1 |
0 |
|
|
9821 |
93535 |
1 |
N4C13H14 |
A4B13C14 |
75.09 |
4.5 |
-8.55 |
-0.56 |
0 |
|
|
9822 |
93536 |
1 |
O2N3H4Cl5C10 |
A2B3C4D5E10 |
-25.7 |
6.37 |
-10.33 |
-1.81 |
0 |
|
|
9823 |
93549 |
1 |
SO4C14H18 |
AB4C14D18 |
-151.82 |
4.84 |
-10.02 |
-0.35 |
0 |
|
|
9824 |
93552 |
2 |
OH4C5 |
AB4C5 |
-49.35 |
2.52 |
-8.46 |
-0.71 |
0 |
|
|
9825 |
93568 |
1 |
BrSnH15C18 |
ABC15D18 |
75.79 |
2.94 |
-9.7 |
-0.56 |
0 |
|
|
9826 |
93569 |
1 |
SnBr2C8H18 |
AB2C8D18 |
-73.65 |
3.89 |
-10.14 |
-1.35 |
0 |
|
|
9827 |
93570 |
1 |
OSnC13H32 |
ABC13D32 |
-84.65 |
1.45 |
-9.48 |
1.28 |
0 |
|
|
9828 |
93581 |
1 |
SO4C14H18 |
AB4C14D18 |
-148.09 |
7.14 |
-10.21 |
-0.6 |
0 |
|
|
9829 |
93582 |
1 |
SO4C12H14 |
AB4C12D14 |
-133.57 |
6.87 |
-10.24 |
-0.63 |
0 |
|
|
9830 |
93595 |
1 |
NPO4C27H44 |
ABC4D27E44 |
-245.8 |
12.79 |
-8.36 |
-0.21 |
0 |
|
|
9831 |
93596 |
1 |
NSC8H13 |
ABC8D13 |
5.33 |
2.14 |
-9.2 |
-0.28 |
0 |
|
|
9832 |
93600 |
1 |
NO5H15C21 |
AB5C15D21 |
-117.82 |
2.56 |
-9.23 |
-1.55 |
0 |
|
|
9833 |
93605 |
1 |
FON2C15H19 |
ABC2D15E19 |
-63.71 |
5.16 |
-9.1 |
-0.02 |
0 |
|
|
9834 |
93613 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-68.85 |
6.68 |
-8.61 |
0.25 |
0 |
|
|
9835 |
93626 |
1 |
NOC20H41 |
ABC20D41 |
-134.27 |
4.19 |
-9.29 |
1.42 |
0 |
|
|
9836 |
93630 |
1 |
O3C16H26 |
A3B16C26 |
-167.03 |
6.92 |
-9.72 |
-0.13 |
0 |
|
|
9837 |
93687 |
1 |
NO3C5H7 |
AB3C5D7 |
-120.88 |
2.05 |
-10.62 |
-0.42 |
0 |
|
|
9838 |
93753 |
1 |
ClNOC15H20 |
ABCD15E20 |
-49.57 |
3.2 |
-8.84 |
-0.06 |
0 |
|
|
9839 |
93755 |
1 |
NOF3C16H20 |
ABC3D16E20 |
-203.5 |
5.78 |
-8.97 |
-0.5 |
0 |
|
|
9840 |
93759 |
1 |
FNOC16H20 |
ABCD16E20 |
-74.82 |
3.67 |
-8.69 |
-0.73 |
0 |
|
|
9841 |
93773 |
1 |
NOC11H19 |
ABC11D19 |
-56.42 |
3.73 |
-8.44 |
0.14 |
0 |
|
|
9842 |
93790 |
2 |
OC5H9 |
AB5C9 |
-100.48 |
1.82 |
-9.96 |
2.33 |
0 |
|
|
9843 |
93821 |
2 |
NO3C9H18 |
AB3C9D18 |
-335.82 |
6.6 |
-9.54 |
0.63 |
0 |
|
|
9844 |
93865 |
1 |
N2O3C13H14 |
A2B3C13D14 |
-36.21 |
2.29 |
-9.82 |
-1.07 |
0 |
|
|
9845 |
93888 |
1 |
O3N4C22H44 |
A3B4C22D44 |
-198.95 |
6.23 |
-9.5 |
0.29 |
0 |
|
|
9846 |
93889 |
1 |
NC11H13 |
AB11C13 |
31.4 |
1.45 |
-9.03 |
0.4 |
0 |
|
|
9847 |
93892 |
1 |
NOH11C14 |
ABC11D14 |
37.01 |
5.77 |
-8.96 |
-0.74 |
0 |
|
|
9848 |
93894 |
1 |
SiO3C9H20 |
AB3C9D20 |
-217.97 |
3.32 |
-9.5 |
0.85 |
0 |
|
|
9849 |
93895 |
1 |
ClN2I3O3H10C12 |
AB2C3D3E10F12 |
-44.66 |
4.8 |
-9.85 |
-1.99 |
0 |
|
|
9850 |
93899 |
1 |
BrNF3H5C7 |
ABC3D5E7 |
-144.55 |
5.34 |
-9.14 |
-0.5 |
0 |
|
|
9851 |
93903 |
1 |
SO2C40H50 |
AB2C40D50 |
-89.9 |
2.06 |
-8.65 |
-0.33 |
0 |
|
|
9852 |
93910 |
2 |
ClOC3H6 |
ABC3D6 |
-125.24 |
0.08 |
-10.68 |
-0.01 |
0 |
|
|
9853 |
93926 |
1 |
ClSN2O3H13C16 |
ABC2D3E13F16 |
-71.22 |
1.05 |
-8.26 |
-1.91 |
0 |
|
|
9854 |
93964 |
1 |
NSO2C8H15 |
ABC2D8E15 |
-116.64 |
3.64 |
-8.98 |
0.19 |
0 |
|
|
9855 |
93967 |
1 |
O2H12C13 |
A2B12C13 |
-41.15 |
1.89 |
-8.63 |
-0.83 |
0 |
|
|
9856 |
93969 |
1 |
NCl2O5H19C20 |
AB2C5D19E20 |
-181.39 |
7.27 |
-9.25 |
-1.02 |
0 |
|
|
9857 |
93972 |
1 |
OBr4H4C7 |
AB4C4D7 |
-13.17 |
2.98 |
-9.49 |
-1.06 |
0 |
|
|
9858 |
94016 |
1 |
NNaSO3H8C10 |
ABCD3E8F10 |
-125.73 |
5.87 |
-8.38 |
-0.36 |
0 |
|
|
9859 |
94018 |
1 |
NC17H19 |
AB17C19 |
38.74 |
1.3 |
-8.6 |
-0.13 |
0 |
|
|
9860 |
94019 |
1 |
NC18H21 |
AB18C21 |
33.88 |
1.27 |
-8.6 |
-0.13 |
0 |
|
|
9861 |
94021 |
1 |
O3C12H20 |
A3B12C20 |
-102.62 |
4.93 |
-9.6 |
0.68 |
0 |
|
|
9862 |
94022 |
1 |
NO2C15H15 |
AB2C15D15 |
-57.57 |
7.9 |
-8.12 |
-0.6 |
0 |
|
|
9863 |
94035 |
1 |
NO6C21H29 |
AB6C21D29 |
-247.83 |
1.93 |
-8.82 |
0.13 |
0 |
|
|
9864 |
94063 |
2 |
NO3C11H14 |
AB3C11D14 |
-135.55 |
7.04 |
-9.24 |
-1.23 |
0 |
|
|
9865 |
94069 |
1 |
N2O4H14C21 |
A2B4C14D21 |
-75.25 |
6.77 |
-8.46 |
-1.93 |
0 |
|
|
9866 |
94109 |
1 |
NO3C11H15 |
AB3C11D15 |
-112.08 |
7.25 |
-9.61 |
-0.41 |
0 |
|
|
9867 |
94137 |
1 |
OC10H14 |
AB10C14 |
-1.7 |
1.39 |
-9.59 |
1.12 |
0 |
|
|
9868 |
94154 |
1 |
C5O5H12 |
A5B5C12 |
-236.32 |
1.87 |
-10.71 |
1.58 |
0 |
|
|
9869 |
94160 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-139.18 |
3.37 |
-8.88 |
-0.21 |
0 |
|
|
9870 |
94183 |
2 |
OH5C11 |
AB5C11 |
18.26 |
0.0 |
-9.08 |
-2.16 |
0 |
|
|
9871 |
94192 |
4 |
OC6H9 |
AB6C9 |
-224.41 |
8.04 |
-10.06 |
0.41 |
0 |
|
|
9872 |
94229 |
1 |
NO3C13H17 |
AB3C13D17 |
-128.31 |
1.98 |
-9.51 |
0.21 |
0 |
|
|
9873 |
94230 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-63.58 |
2.82 |
-8.72 |
-0.26 |
0 |
|
|
9874 |
94240 |
1 |
O2H12C15 |
A2B12C15 |
-15.62 |
2.14 |
-9.41 |
-0.78 |
0 |
|
|
9875 |
94244 |
1 |
N2O3C12H24 |
A2B3C12D24 |
-175.53 |
4.7 |
-9.96 |
0.11 |
0 |
|
|
9876 |
94319 |
1 |
SN2O10C44H68 |
AB2C10D44E68 |
-462.69 |
1.68 |
-8.34 |
-1.05 |
0 |
|
|
9877 |
94329 |
2 |
NOC10H12 |
ABC10D12 |
-26.6 |
3.63 |
-8.68 |
-0.66 |
0 |
|
|
9878 |
94353 |
2 |
NC11H15 |
AB11C15 |
29.5 |
1.61 |
-8.49 |
0.34 |
0 |
|
|
9879 |
94359 |
1 |
NZr |
AB |
145.78 |
5.04 |
0.0 |
0.0 |
0 |