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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75852 |
48424070 |
2 |
NO2C8H14 |
AB2C8D14 |
-183.53 |
3.69 |
-9.34 |
0.58 |
0 |
|
|
75853 |
48424071 |
1 |
O2N3C21H33 |
A2B3C21D33 |
-59.75 |
3.86 |
-8.11 |
0.51 |
0 |
|
|
75854 |
48424072 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-96.9 |
5.06 |
-9.12 |
-0.29 |
0 |
|
|
75855 |
48424073 |
2 |
NOC8H15 |
ABC8D15 |
-92.68 |
4.47 |
-8.78 |
1.18 |
0 |
|
|
75856 |
48424074 |
1 |
F2N2O3C19H20 |
A2B2C3D19E20 |
-190.83 |
2.49 |
-9.64 |
-0.39 |
0 |
|
|
75857 |
48424075 |
1 |
NF2O2C15H19 |
AB2C2D15E19 |
-156.18 |
3.9 |
-9.67 |
-0.46 |
0 |
|
|
75858 |
48424076 |
1 |
NO4C20H29 |
AB4C20D29 |
-154.82 |
3.82 |
-8.86 |
0.01 |
0 |
|
|
75859 |
48424077 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-127.92 |
3.4 |
-8.6 |
0.26 |
0 |
|
|
75860 |
48424078 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-102.66 |
5.89 |
-8.17 |
0.25 |
0 |
|
|
75861 |
48424079 |
2 |
NOC9H14 |
ABC9D14 |
-69.54 |
5.52 |
-8.09 |
0.39 |
0 |
|
|
75862 |
48424080 |
1 |
NCl2O2C15H19 |
AB2C2D15E19 |
-69.31 |
4.19 |
-9.65 |
-0.76 |
0 |
|
|
75863 |
48424082 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-106.73 |
1.67 |
-9.4 |
-0.13 |
0 |
|
|
75864 |
48424083 |
1 |
NF2O2C16H21 |
AB2C2D16E21 |
-150.61 |
3.47 |
-9.55 |
-0.37 |
0 |
|
|
75865 |
48424084 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-96.97 |
2.97 |
-9.16 |
0.15 |
0 |
|
|
75866 |
48424085 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-66.75 |
6.68 |
-8.8 |
0.85 |
0 |
|
|
75867 |
48424087 |
1 |
FN2O3C21H23 |
AB2C3D21E23 |
-120.74 |
1.5 |
-8.77 |
-0.24 |
0 |
|
|
75868 |
48424088 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-88.63 |
2.13 |
-9.31 |
-0.41 |
0 |
|
|
75869 |
48424089 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-19.06 |
3.45 |
-8.8 |
-0.18 |
0 |
|
|
75870 |
48424091 |
1 |
NF2O2C17H21 |
AB2C2D17E21 |
-129.83 |
2.3 |
-9.68 |
-0.36 |
0 |
|
|
75871 |
48424092 |
1 |
O3N4C20H32 |
A3B4C20D32 |
-127.71 |
2.35 |
-8.21 |
0.02 |
0 |
|
|
75872 |
48424093 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-91.0 |
2.91 |
-8.36 |
1.03 |
0 |
|
|
75873 |
48424094 |
1 |
O3N4C21H34 |
A3B4C21D34 |
-129.71 |
3.61 |
-8.42 |
0.01 |
0 |
|
|
75874 |
48424099 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-182.57 |
1.94 |
-9.56 |
0.17 |
0 |
|
|
75875 |
48424100 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-150.97 |
1.86 |
-9.76 |
0.89 |
0 |
|
|
75876 |
48424102 |
1 |
NO3C16H21 |
AB3C16D21 |
-92.72 |
3.2 |
-8.81 |
0.24 |
0 |
|
|
75877 |
48424103 |
1 |
N2O4C17H32 |
A2B4C17D32 |
-210.28 |
0.9 |
-9.37 |
0.93 |
0 |
|
|
75878 |
48424104 |
1 |
NO3C19H27 |
AB3C19D27 |
-107.64 |
6.01 |
-8.88 |
0.15 |
0 |
|
|
75879 |
48424106 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-55.72 |
4.09 |
-9.14 |
-0.06 |
0 |
|
|
75880 |
48424107 |
1 |
ClNO2C17H22 |
ABC2D17E22 |
-66.15 |
5.83 |
-9.31 |
0.08 |
0 |
|
|
75881 |
48424109 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-39.13 |
3.28 |
-8.7 |
-0.33 |
0 |
|
|
75882 |
48424110 |
1 |
N3O5C21H33 |
A3B5C21D33 |
-243.8 |
4.54 |
-9.46 |
0.14 |
0 |
|
|
75883 |
48424111 |
1 |
ClO2F3N3C15H19 |
AB2C3D3E15F19 |
-223.0 |
7.75 |
-8.94 |
-0.61 |
0 |
|
|
75884 |
48424113 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-79.22 |
5.28 |
-8.52 |
-0.56 |
0 |
|
|
75885 |
48424115 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-189.83 |
2.77 |
-9.28 |
-0.14 |
0 |
|
|
75886 |
48424116 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-176.33 |
3.2 |
-9.5 |
0.07 |
0 |
|
|
75887 |
48424118 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-163.02 |
2.51 |
-9.33 |
0.35 |
0 |
|
|
75888 |
48424119 |
1 |
NO3C13H23 |
AB3C13D23 |
-130.21 |
2.91 |
-9.06 |
1.0 |
0 |
|
|
75889 |
48424120 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-68.09 |
7.96 |
-9.96 |
-1.34 |
0 |
|
|
75890 |
48424121 |
1 |
NO3C17H25 |
AB3C17D25 |
-116.76 |
5.47 |
-8.56 |
0.13 |
0 |
|
|
75891 |
48424122 |
1 |
NF4O4C15H17 |
AB4C4D15E17 |
-347.57 |
2.47 |
-8.83 |
-0.58 |
0 |
|
|
75892 |
48424123 |
1 |
FNO3C21H24 |
ABC3D21E24 |
-110.6 |
3.06 |
-9.3 |
-0.15 |
0 |
|
|
75893 |
48424124 |
1 |
O3N5C20H21 |
A3B5C20D21 |
-31.98 |
4.87 |
-9.45 |
-0.52 |
0 |
|
|
75894 |
48424125 |
2 |
ON2C8H10 |
AB2C8D10 |
8.39 |
5.31 |
-9.16 |
-0.3 |
0 |
|
|
75895 |
48424126 |
1 |
NO4C15H27 |
AB4C15D27 |
-184.15 |
4.2 |
-9.49 |
0.38 |
0 |
|
|
75896 |
48424127 |
1 |
N3O5C19H21 |
A3B5C19D21 |
-101.61 |
6.69 |
-9.84 |
-1.35 |
0 |
|
|
75897 |
48424128 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-147.47 |
3.34 |
-8.77 |
-0.12 |
0 |
|
|
75898 |
48424129 |
1 |
ClO3N4C20H23 |
AB3C4D20E23 |
-81.85 |
2.59 |
-9.07 |
-0.54 |
0 |
|
|
75899 |
48424130 |
1 |
ClO2N3C16H22 |
AB2C3D16E22 |
-47.69 |
5.11 |
-8.85 |
-0.37 |
0 |
|
|
75900 |
48424131 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-181.53 |
5.21 |
-8.95 |
0.04 |
0 |
|
|
75901 |
48424132 |
1 |
NO4C19H27 |
AB4C19D27 |
-147.82 |
2.85 |
-9.06 |
-0.01 |
0 |
|
|
75902 |
48424133 |
1 |
NO2C18H27 |
AB2C18D27 |
-92.23 |
2.76 |
-8.77 |
0.68 |
0 |
|
|
75903 |
48424136 |
1 |
F2N2O3C20H22 |
A2B2C3D20E22 |
-197.69 |
3.56 |
-9.58 |
-0.29 |
0 |
|
|
75904 |
48424139 |
1 |
NO3C13H25 |
AB3C13D25 |
-141.63 |
4.7 |
-9.71 |
1.12 |
0 |
|
|
75905 |
48424140 |
1 |
N2O4C17H26 |
A2B4C17D26 |
-174.67 |
1.82 |
-9.54 |
0.16 |
0 |
|
|
75906 |
48424141 |
1 |
NO3C13H25 |
AB3C13D25 |
-142.7 |
3.57 |
-9.65 |
1.06 |
0 |
|
|
75907 |
48424143 |
1 |
NO4C17H25 |
AB4C17D25 |
-136.66 |
2.22 |
-8.92 |
0.22 |
0 |
|
|
75908 |
48424144 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-143.26 |
5.71 |
-8.82 |
-0.08 |
0 |
|
|
75909 |
48424147 |
1 |
FN2O4C20H23 |
AB2C4D20E23 |
-176.24 |
3.32 |
-9.15 |
-0.02 |
0 |
|
|
75910 |
48424149 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-99.72 |
2.56 |
-9.36 |
0.34 |
0 |
|
|
75911 |
48424151 |
1 |
FN2O3C20H29 |
AB2C3D20E29 |
-155.45 |
4.22 |
-8.44 |
-0.1 |
0 |
|
|
75912 |
48424152 |
1 |
NO3C19H29 |
AB3C19D29 |
-110.94 |
3.74 |
-9.46 |
0.3 |
0 |
|
|
75913 |
48424153 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-139.57 |
3.52 |
-8.5 |
-0.19 |
0 |
|
|
75914 |
48424154 |
1 |
FNO3C16H22 |
ABC3D16E22 |
-139.99 |
2.62 |
-9.26 |
-0.05 |
0 |
|
|
75915 |
48424155 |
1 |
NO5C19H27 |
AB5C19D27 |
-195.5 |
5.5 |
-9.0 |
-0.05 |
0 |
|
|
75916 |
48424158 |
1 |
NF3O3C14H16 |
AB3C3D14E16 |
-249.25 |
5.97 |
-9.1 |
-0.49 |
0 |
|
|
75917 |
48424159 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-155.41 |
2.65 |
-9.5 |
0.13 |
0 |
|
|
75918 |
48424160 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-125.8 |
4.74 |
-9.5 |
0.52 |
0 |
|
|
75919 |
48424161 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-147.96 |
3.49 |
-8.82 |
-0.11 |
0 |
|
|
75920 |
48424162 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-109.23 |
3.8 |
-8.73 |
0.02 |
0 |
|
|
75921 |
48424163 |
1 |
NO2C17H25 |
AB2C17D25 |
-78.16 |
2.86 |
-9.01 |
0.51 |
0 |
|
|
75922 |
48424164 |
1 |
FN2O3C19H25 |
AB2C3D19E25 |
-145.97 |
1.96 |
-9.28 |
-0.46 |
0 |
|
|
75923 |
48424166 |
1 |
N3O4C23H23 |
A3B4C23D23 |
-93.72 |
3.84 |
-8.56 |
-0.26 |
0 |
|
|
75924 |
48424167 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-58.75 |
3.39 |
-8.59 |
-0.2 |
0 |
|
|
75925 |
48424168 |
1 |
NO2C19H27 |
AB2C19D27 |
-70.88 |
2.79 |
-9.19 |
0.36 |
0 |
|
|
75926 |
48424170 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-142.56 |
7.94 |
-9.28 |
-0.52 |
0 |
|
|
75927 |
48424173 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-177.07 |
5.17 |
-8.36 |
-0.15 |
0 |
|
|
75928 |
48424175 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-171.7 |
3.05 |
-8.89 |
-0.16 |
0 |
|
|
75929 |
48424176 |
2 |
NOC11H13 |
ABC11D13 |
-30.61 |
2.05 |
-8.35 |
0.0 |
0 |
|
|
75930 |
48424177 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-112.49 |
4.39 |
-9.04 |
-0.38 |
0 |
|
|
75931 |
48424178 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-74.51 |
6.07 |
-8.92 |
-0.06 |
0 |
|
|
75932 |
48424180 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-144.41 |
1.49 |
-9.37 |
-0.23 |
0 |
|
|
75933 |
48424183 |
1 |
N2O5C21H32 |
A2B5C21D32 |
-213.63 |
4.83 |
-9.27 |
-0.3 |
0 |
|
|
75934 |
48424184 |
1 |
O3N4C21H34 |
A3B4C21D34 |
-119.11 |
3.19 |
-8.46 |
0.19 |
0 |
|
|
75935 |
48424185 |
1 |
NF2O2C16H21 |
AB2C2D16E21 |
-153.69 |
3.25 |
-9.53 |
-0.43 |
0 |
|
|
75936 |
48424186 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-121.96 |
6.08 |
-8.92 |
-0.16 |
0 |
|
|
75937 |
48424187 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-95.72 |
4.34 |
-9.05 |
-0.1 |
0 |
|
|
75938 |
48424188 |
1 |
ClNO3C16H22 |
ABC3D16E22 |
-115.61 |
5.57 |
-8.55 |
-0.23 |
0 |
|
|
75939 |
48424189 |
2 |
NO2C11H16 |
AB2C11D16 |
-149.7 |
1.62 |
-9.25 |
-0.12 |
0 |
|
|
75940 |
48424190 |
1 |
NO2C17H29 |
AB2C17D29 |
-102.94 |
4.56 |
-9.17 |
1.21 |
0 |
|
|
75941 |
48424191 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-143.22 |
4.88 |
-8.7 |
-0.02 |
0 |
|
|
75942 |
48424195 |
1 |
NO3C19H27 |
AB3C19D27 |
-105.26 |
3.0 |
-8.58 |
0.27 |
0 |
|
|
75943 |
48424196 |
1 |
NO3C16H23 |
AB3C16D23 |
-109.23 |
3.94 |
-8.28 |
0.19 |
0 |
|
|
75944 |
48424197 |
1 |
FN2O3C20H29 |
AB2C3D20E29 |
-149.13 |
1.57 |
-8.8 |
0.01 |
0 |
|
|
75945 |
48424203 |
1 |
ClN3O3C16H22 |
AB3C3D16E22 |
-96.31 |
2.53 |
-9.26 |
-0.35 |
0 |
|
|
75946 |
48424206 |
1 |
NO3C17H25 |
AB3C17D25 |
-103.27 |
4.19 |
-8.85 |
0.18 |
0 |
|
|
75947 |
48424207 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-85.15 |
4.43 |
-9.34 |
-0.55 |
0 |
|
|
75948 |
48424208 |
2 |
NO2C10H15 |
AB2C10D15 |
-150.0 |
5.3 |
-8.98 |
0.1 |
0 |
|
|
75949 |
48424209 |
1 |
NO4C17H25 |
AB4C17D25 |
-144.16 |
3.67 |
-8.58 |
0.16 |
0 |
|
|
75950 |
48424210 |
1 |
N3O4C23H33 |
A3B4C23D33 |
-182.58 |
7.05 |
-9.35 |
0.27 |
0 |
|
|
75951 |
48424211 |
1 |
N2F3O4C19H25 |
A2B3C4D19E25 |
-335.85 |
5.8 |
-9.6 |
-0.04 |
0 |