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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
28823 |
829848 |
3 |
NC5H5 |
AB5C5 |
66.49 |
3.17 |
-8.51 |
-0.27 |
0 |
|
|
28824 |
829857 |
1 |
ON3C17H19 |
AB3C17D19 |
23.37 |
4.64 |
-8.3 |
-0.2 |
0 |
|
|
28825 |
829860 |
1 |
ON4C10H12 |
AB4C10D12 |
12.39 |
3.41 |
-9.21 |
-0.38 |
0 |
|
|
28826 |
829861 |
1 |
N2F3O3C15H15 |
A2B3C3D15E15 |
-243.95 |
4.51 |
-9.49 |
-0.71 |
0 |
|
|
28827 |
829900 |
1 |
O2F3N3H12C16 |
A2B3C3D12E16 |
-149.56 |
3.05 |
-9.48 |
-1.15 |
0 |
|
|
28828 |
829911 |
1 |
SN4H14C15 |
AB4C14D15 |
107.72 |
3.62 |
-8.66 |
-0.8 |
0 |
|
|
28829 |
829921 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-237.1 |
4.11 |
-9.08 |
-0.55 |
0 |
|
|
28830 |
829922 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-240.3 |
4.7 |
-9.15 |
-0.46 |
0 |
|
|
28831 |
829923 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-238.1 |
4.85 |
-9.18 |
-0.51 |
0 |
|
|
28832 |
829924 |
1 |
O2S2N4H12C13 |
A2B2C4D12E13 |
28.37 |
6.97 |
-9.14 |
-1.08 |
0 |
|
|
28833 |
829934 |
1 |
ON3C15H15 |
AB3C15D15 |
43.52 |
7.11 |
-8.85 |
-0.25 |
0 |
|
|
28834 |
829940 |
1 |
O2N3H13C16 |
A2B3C13D16 |
46.7 |
6.17 |
-8.81 |
-0.75 |
0 |
|
|
28835 |
829941 |
1 |
ClO2N3H10C15 |
AB2C3D10E15 |
46.36 |
6.67 |
-8.88 |
-0.9 |
0 |
|
|
28836 |
829952 |
1 |
O2F3N3C14H14 |
A2B3C3D14E14 |
-185.33 |
5.45 |
-9.95 |
-1.02 |
0 |
|
|
28837 |
829963 |
1 |
NF3O3H14C18 |
AB3C3D14E18 |
-246.46 |
6.94 |
-9.39 |
-1.07 |
0 |
|
|
28838 |
829968 |
1 |
O2N4H16C17 |
A2B4C16D17 |
67.79 |
10.95 |
-8.98 |
-1.23 |
0 |
|
|
28839 |
829976 |
1 |
O2N4H14C17 |
A2B4C14D17 |
56.13 |
3.7 |
-9.12 |
-0.79 |
0 |
|
|
28840 |
829989 |
1 |
FOS2N3H10C15 |
ABC2D3E10F15 |
22.62 |
8.61 |
-9.53 |
-1.18 |
0 |
|
|
28841 |
830008 |
2 |
NOC8H8 |
ABC8D8 |
2.1 |
3.78 |
-8.14 |
-0.57 |
0 |
|
|
28842 |
830013 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-74.07 |
5.3 |
-8.8 |
-0.33 |
0 |
|
|
28843 |
830014 |
2 |
ClNH5C7 |
ABC5D7 |
62.81 |
6.6 |
-8.52 |
-0.85 |
0 |
|
|
28844 |
830015 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-37.42 |
6.17 |
-8.58 |
-0.29 |
0 |
|
|
28845 |
830022 |
2 |
N3H7C8 |
A3B7C8 |
162.93 |
9.68 |
-8.84 |
-1.15 |
0 |
|
|
28846 |
830025 |
1 |
NSO2H11C12 |
ABC2D11E12 |
-50.89 |
4.64 |
-9.42 |
-0.92 |
0 |
|
|
28847 |
830026 |
1 |
O2N5C12H19 |
A2B5C12D19 |
-70.08 |
6.17 |
-8.56 |
-0.22 |
0 |
|
|
28848 |
830028 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-29.23 |
4.72 |
-8.91 |
-0.45 |
0 |
|
|
28849 |
830035 |
1 |
O4N5C9H9 |
A4B5C9D9 |
16.73 |
6.61 |
-9.29 |
-1.43 |
0 |
|
|
28850 |
830044 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-19.3 |
4.51 |
-8.83 |
-0.46 |
0 |
|
|
28851 |
830056 |
1 |
N2O5C14H16 |
A2B5C14D16 |
-158.74 |
1.24 |
-9.24 |
-0.82 |
0 |
|
|
28852 |
830057 |
2 |
O3H6C8 |
A3B6C8 |
-165.08 |
3.1 |
-9.27 |
-0.9 |
0 |
|
|
28853 |
830058 |
1 |
NO5C15H17 |
AB5C15D17 |
-186.66 |
6.28 |
-9.1 |
-0.76 |
0 |
|
|
28854 |
830060 |
1 |
NO5C16H19 |
AB5C16D19 |
-197.36 |
10.25 |
-8.83 |
-0.54 |
0 |
|
|
28855 |
830064 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-136.0 |
6.84 |
-8.59 |
-0.5 |
0 |
|
|
28856 |
830070 |
1 |
ON2S2C17H20 |
AB2C2D17E20 |
2.33 |
2.01 |
-8.47 |
-0.88 |
0 |
|
|
28857 |
830079 |
1 |
O2N4C13H14 |
A2B4C13D14 |
-14.13 |
4.99 |
-8.78 |
-1.17 |
0 |
|
|
28858 |
830082 |
1 |
NO3C18H19 |
AB3C18D19 |
-58.95 |
2.83 |
-8.38 |
-0.41 |
0 |
|
|
28859 |
830087 |
1 |
SO2N4H12C14 |
AB2C4D12E14 |
87.11 |
6.14 |
-9.16 |
-1.64 |
0 |
|
|
28860 |
830088 |
1 |
ClNO4H14C18 |
ABC4D14E18 |
-92.28 |
8.73 |
-9.08 |
-0.92 |
0 |
|
|
28861 |
830114 |
1 |
NO2F3H12C13 |
AB2C3D12E13 |
-189.09 |
3.21 |
-8.86 |
-0.87 |
0 |
|
|
28862 |
830115 |
1 |
NO2F3H12C13 |
AB2C3D12E13 |
-189.12 |
2.25 |
-8.85 |
-0.86 |
0 |
|
|
28863 |
830118 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-176.09 |
2.72 |
-9.0 |
-0.24 |
0 |
|
|
28864 |
830123 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-174.35 |
4.6 |
-8.93 |
-0.25 |
0 |
|
|
28865 |
830133 |
2 |
NO2C5H6 |
AB2C5D6 |
-164.3 |
4.68 |
-9.59 |
-0.96 |
0 |
|
|
28866 |
830137 |
1 |
SH5N5C6 |
AB5C5D6 |
118.01 |
6.88 |
-8.89 |
-2.05 |
0 |
|
|
28867 |
830138 |
1 |
ClSN5H8C12 |
ABC5D8E12 |
122.58 |
4.02 |
-8.76 |
-1.69 |
0 |
|
|
28868 |
830162 |
1 |
N2O4H16C19 |
A2B4C16D19 |
-81.98 |
4.74 |
-8.77 |
-0.45 |
0 |
|
|
28869 |
830166 |
1 |
ON2S2H12C13 |
AB2C2D12E13 |
3.15 |
1.25 |
-8.65 |
-1.08 |
0 |
|
|
28870 |
830167 |
1 |
SN3O4C14H15 |
AB3C4D14E15 |
-60.62 |
9.38 |
-9.82 |
-1.28 |
0 |
|
|
28871 |
830170 |
2 |
NOH7C10 |
ABC7D10 |
77.7 |
8.09 |
-9.28 |
-1.51 |
0 |
|
|
28872 |
830178 |
2 |
N2C10H11 |
A2B10C11 |
71.45 |
10.88 |
-8.5 |
-0.83 |
0 |
|
|
28873 |
830179 |
1 |
NO4H17C19 |
AB4C17D19 |
-114.61 |
5.05 |
-9.42 |
-1.47 |
0 |
|
|
28874 |
830181 |
1 |
ON4C20H22 |
AB4C20D22 |
36.66 |
11.24 |
-8.56 |
-0.92 |
0 |
|
|
28875 |
830184 |
1 |
ON4H12C13 |
AB4C12D13 |
65.22 |
10.19 |
-9.38 |
-1.38 |
0 |
|
|
28876 |
830192 |
1 |
ClN5C16H18 |
AB5C16D18 |
70.24 |
3.89 |
-8.87 |
-0.42 |
0 |
|
|
28877 |
830207 |
1 |
ON2C18H20 |
AB2C18D20 |
16.21 |
5.64 |
-8.64 |
-0.05 |
0 |
|
|
28878 |
830208 |
1 |
N2O3H16C19 |
A2B3C16D19 |
-12.49 |
2.82 |
-8.33 |
-1.11 |
0 |
|
|
28879 |
830209 |
1 |
ON2C14H20 |
AB2C14D20 |
-31.01 |
2.59 |
-8.84 |
-0.16 |
0 |
|
|
28880 |
830210 |
1 |
ON2C14H20 |
AB2C14D20 |
-29.69 |
4.9 |
-8.95 |
-0.2 |
0 |
|
|
28881 |
830211 |
1 |
ON2C14H20 |
AB2C14D20 |
-29.9 |
2.7 |
-8.89 |
-0.21 |
1 |
|
|
28882 |
830247 |
1 |
SN2H19C21 |
AB2C19D21 |
96.83 |
1.93 |
0.0 |
0.0 |
0 |
|
|
28883 |
830270 |
1 |
NO2C19H25 |
AB2C19D25 |
-86.52 |
2.47 |
-8.78 |
0.06 |
0 |
|
|
28884 |
830271 |
1 |
ON5C19H19 |
AB5C19D19 |
64.95 |
5.62 |
-8.54 |
-0.55 |
0 |
|
|
28885 |
830277 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-34.71 |
1.76 |
-9.14 |
-0.68 |
0 |
|
|
28886 |
830289 |
1 |
ClNO2C18H22 |
ABC2D18E22 |
-94.18 |
3.46 |
-8.89 |
-0.24 |
0 |
|
|
28887 |
830320 |
1 |
NF3O3C17H18 |
AB3C3D17E18 |
-273.31 |
5.06 |
-9.41 |
-0.73 |
0 |
|
|
28888 |
830334 |
2 |
NOC9H13 |
ABC9D13 |
-100.66 |
1.8 |
-8.5 |
0.27 |
0 |
|
|
28889 |
830336 |
1 |
SN3O5C14H15 |
AB3C5D14E15 |
-119.91 |
8.27 |
-8.99 |
-0.82 |
0 |
|
|
28890 |
830366 |
1 |
NO2C10H15 |
AB2C10D15 |
-95.06 |
3.75 |
-10.0 |
0.22 |
0 |
|
|
28891 |
830374 |
1 |
NO2C18H23 |
AB2C18D23 |
-85.45 |
3.78 |
-8.31 |
0.14 |
0 |
|
|
28892 |
830385 |
1 |
NCl2O2C16H17 |
AB2C2D16E17 |
-82.81 |
5.11 |
-9.04 |
-0.41 |
0 |
|
|
28893 |
830386 |
1 |
ClNO2C16H18 |
ABC2D16E18 |
-76.21 |
3.72 |
-8.83 |
-0.16 |
0 |
|
|
28894 |
830387 |
1 |
N2O2H16C21 |
A2B2C16D21 |
13.63 |
3.0 |
-8.62 |
-0.84 |
0 |
|
|
28895 |
830391 |
1 |
NO3C17H21 |
AB3C17D21 |
-105.4 |
3.82 |
-8.35 |
0.16 |
0 |
|
|
28896 |
830419 |
1 |
NO2C21H31 |
AB2C21D31 |
-103.0 |
3.38 |
-8.8 |
0.23 |
0 |
|
|
28897 |
830450 |
1 |
ON2H16C18 |
AB2C16D18 |
22.28 |
4.3 |
-9.41 |
-0.91 |
0 |
|
|
28898 |
830462 |
1 |
N3C19H21 |
A3B19C21 |
61.28 |
4.79 |
-8.33 |
0.08 |
0 |
|
|
28899 |
830463 |
1 |
N3C19H21 |
A3B19C21 |
61.27 |
4.81 |
-8.33 |
0.08 |
0 |
|
|
28900 |
830464 |
1 |
ClN3C19H22 |
AB3C19D22 |
61.39 |
4.61 |
-8.07 |
-0.76 |
0 |
|
|
28901 |
830465 |
1 |
O2N4H14C15 |
A2B4C14D15 |
24.65 |
6.12 |
-10.96 |
-2.34 |
0 |
|
|
28902 |
830467 |
1 |
O2N4C19H22 |
A2B4C19D22 |
67.01 |
5.69 |
-8.23 |
-1.35 |
0 |
|
|
28903 |
830470 |
1 |
NO3C18H21 |
AB3C18D21 |
-92.58 |
2.86 |
-9.11 |
-0.15 |
0 |
|
|
28904 |
830473 |
1 |
ClN3O3C15H20 |
AB3C3D15E20 |
-111.21 |
3.84 |
-9.13 |
-0.36 |
0 |
|
|
28905 |
830483 |
1 |
SN5C11H11 |
AB5C11D11 |
104.79 |
5.98 |
-9.07 |
-0.94 |
0 |
|
|
28906 |
830491 |
2 |
ON2C8H9 |
AB2C8D9 |
10.81 |
1.6 |
-9.12 |
-1.08 |
0 |
|
|
28907 |
830495 |
1 |
SN6C13H18 |
AB6C13D18 |
100.11 |
4.04 |
-8.53 |
-0.27 |
0 |
|
|
28908 |
830527 |
1 |
FNOC20H24 |
ABCD20E24 |
-62.28 |
2.56 |
-8.75 |
-0.01 |
0 |
|
|
28909 |
830532 |
1 |
NO2C21H27 |
AB2C21D27 |
-56.25 |
3.96 |
-8.69 |
0.25 |
0 |
|
|
28910 |
830536 |
1 |
ON2H14C16 |
AB2C14D16 |
14.38 |
3.52 |
-9.08 |
-1.05 |
0 |
|
|
28911 |
830550 |
1 |
OCl2N5H7C9 |
AB2C5D7E9 |
59.88 |
7.21 |
-9.66 |
-1.51 |
0 |
|
|
28912 |
830553 |
1 |
ClON3H12C16 |
ABC3D12E16 |
70.67 |
6.23 |
-9.14 |
-1.31 |
0 |
|
|
28913 |
830591 |
1 |
OCl2N3H9C15 |
AB2C3D9E15 |
67.22 |
1.6 |
-9.37 |
-1.53 |
0 |
|
|
28914 |
830605 |
1 |
OCl2N3H11C16 |
AB2C3D11E16 |
58.27 |
2.3 |
-9.19 |
-1.59 |
0 |
|
|
28915 |
830618 |
1 |
NO4H15C19 |
AB4C15D19 |
-83.63 |
2.75 |
-9.01 |
-1.39 |
0 |
|
|
28916 |
830621 |
1 |
ON3C11H11 |
AB3C11D11 |
40.95 |
7.37 |
-9.18 |
-1.17 |
0 |
|
|
28917 |
830632 |
1 |
N2O3H16C21 |
A2B3C16D21 |
2.0 |
3.3 |
-8.6 |
-0.78 |
0 |
|
|
28918 |
830640 |
1 |
ClN3O4H12C15 |
AB3C4D12E15 |
-0.31 |
3.93 |
-8.83 |
-1.52 |
0 |
|
|
28919 |
830649 |
2 |
NO2C9H11 |
AB2C9D11 |
-125.96 |
9.57 |
-8.86 |
-1.16 |
0 |
|
|
28920 |
830656 |
1 |
N3H19C20 |
A3B19C20 |
57.89 |
6.2 |
-7.91 |
-0.32 |
0 |
|
|
28921 |
830665 |
1 |
ON3C13H15 |
AB3C13D15 |
4.97 |
1.56 |
-9.08 |
0.02 |
0 |
|
|
28922 |
830681 |
1 |
N2O3H8C10 |
A2B3C8D10 |
2.04 |
5.63 |
-9.48 |
-1.7 |
0 |