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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
89148 |
49959675 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-24.84 |
3.48 |
-9.05 |
-0.35 |
0 |
|
|
89149 |
49959679 |
1 |
BrFN2O2H12C16 |
ABC2D2E12F16 |
-21.85 |
4.76 |
-9.14 |
-1.17 |
0 |
|
|
89150 |
49959682 |
1 |
BrN2O4H19C20 |
AB2C4D19E20 |
-41.75 |
4.24 |
-8.59 |
-1.04 |
0 |
|
|
89151 |
49959683 |
1 |
Br2N2O3H18C19 |
A2B2C3D18E19 |
-16.29 |
5.21 |
-9.06 |
-0.94 |
0 |
|
|
89152 |
49959689 |
1 |
ClBr2N2O3H13C17 |
AB2C2D3E13F17 |
-10.28 |
5.0 |
-9.11 |
-0.98 |
0 |
|
|
89153 |
49959691 |
1 |
Br2N2O2H14C17 |
A2B2C2D14E17 |
18.41 |
5.88 |
-9.13 |
-1.13 |
0 |
|
|
89154 |
49959692 |
1 |
BrN2O3C21H23 |
AB2C3D21E23 |
-35.52 |
5.88 |
-8.84 |
-0.95 |
0 |
|
|
89155 |
49959693 |
1 |
BrN2O3H17C22 |
AB2C3D17E22 |
23.29 |
2.71 |
-9.0 |
-1.0 |
0 |
|
|
89156 |
49959694 |
1 |
BrN2O3H11C14 |
AB2C3D11E14 |
0.27 |
3.85 |
-9.03 |
-1.18 |
0 |
|
|
89157 |
49959695 |
1 |
Br2N2O3H16C18 |
A2B2C3D16E18 |
-16.14 |
4.07 |
-9.09 |
-1.08 |
0 |
|
|
89158 |
49959696 |
1 |
BrN2O2C20H21 |
AB2C2D20E21 |
0.98 |
4.2 |
-8.98 |
-0.94 |
0 |
|
|
89159 |
49959701 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-45.87 |
4.65 |
-8.95 |
-0.7 |
0 |
|
|
89160 |
49959704 |
1 |
ClBr2N2O3H11C16 |
AB2C2D3E11F16 |
-3.6 |
4.87 |
-9.28 |
-1.23 |
0 |
|
|
89161 |
49959705 |
1 |
Br2N2O3H16C18 |
A2B2C3D16E18 |
-11.59 |
6.35 |
-8.98 |
-0.88 |
0 |
|
|
89162 |
49959706 |
1 |
BrN2O3H17C19 |
AB2C3D17E19 |
-3.38 |
5.46 |
-8.94 |
-1.03 |
0 |
|
|
89163 |
49959707 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-18.93 |
5.49 |
-8.84 |
-0.88 |
0 |
|
|
89164 |
49959713 |
1 |
BrN2O3C20H21 |
AB2C3D20E21 |
-34.44 |
6.17 |
-8.88 |
-1.05 |
0 |
|
|
89165 |
49959724 |
1 |
N2O2H14C19 |
A2B2C14D19 |
42.27 |
3.22 |
-9.02 |
-1.0 |
0 |
|
|
89166 |
49959731 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-17.03 |
4.6 |
-9.29 |
-1.0 |
0 |
|
|
89167 |
49959734 |
1 |
ClN2O2H9C13 |
AB2C2D9E13 |
11.97 |
4.48 |
-9.21 |
-1.15 |
0 |
|
|
89168 |
49959736 |
1 |
BrN2O3H13C18 |
AB2C3D13E18 |
8.29 |
3.87 |
-8.74 |
-0.87 |
0 |
|
|
89169 |
49959739 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-19.94 |
2.53 |
-8.86 |
-1.09 |
0 |
|
|
89170 |
49959741 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-30.76 |
4.82 |
-8.97 |
-0.86 |
0 |
|
|
89171 |
49959744 |
2 |
NOH6C7 |
ABC6D7 |
8.88 |
3.4 |
-8.96 |
-0.83 |
0 |
|
|
89172 |
49959752 |
1 |
N2O3H12C14 |
A2B3C12D14 |
-14.02 |
3.51 |
-9.09 |
-0.86 |
0 |
|
|
89173 |
49959753 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-19.52 |
3.11 |
-9.29 |
-0.52 |
0 |
|
|
89174 |
49959754 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-26.98 |
3.46 |
-8.91 |
-0.57 |
0 |
|
|
89175 |
49959755 |
1 |
N2O5C16H16 |
A2B5C16D16 |
-92.38 |
3.78 |
-8.51 |
-0.97 |
0 |
|
|
89176 |
49959756 |
1 |
BrIN2O2H12C16 |
ABC2D2E12F16 |
32.89 |
1.5 |
-9.03 |
-1.22 |
0 |
|
|
89177 |
49959760 |
1 |
SN2O2H8C11 |
AB2C2D8E11 |
24.86 |
3.03 |
-9.12 |
-1.19 |
0 |
|
|
89178 |
49959761 |
1 |
Cl2N2O3H10C14 |
A2B2C3D10E14 |
-28.87 |
3.54 |
-9.3 |
-0.92 |
0 |
|
|
89179 |
49959766 |
1 |
Br2N2O3H16C18 |
A2B2C3D16E18 |
-15.21 |
2.68 |
-9.08 |
-1.01 |
0 |
|
|
89180 |
49959769 |
2 |
NOC7H8 |
ABC7D8 |
5.36 |
4.64 |
-8.85 |
-0.66 |
0 |
|
|
89181 |
49959775 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-24.33 |
3.22 |
-8.85 |
-1.17 |
0 |
|
|
89182 |
49959784 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-27.45 |
5.19 |
-8.73 |
-1.06 |
0 |
|
|
89183 |
49959787 |
2 |
NOC12H12 |
ABC12D12 |
12.99 |
3.57 |
-8.82 |
-0.63 |
0 |
|
|
89184 |
49959807 |
1 |
ClN2O3H19C22 |
AB2C3D19E22 |
-16.88 |
3.32 |
-8.68 |
-1.0 |
0 |
|
|
89185 |
49959821 |
1 |
N2O3H18C21 |
A2B3C18D21 |
3.55 |
3.41 |
-8.76 |
-0.81 |
0 |
|
|
89186 |
49959822 |
1 |
N2O3H20C22 |
A2B3C20D22 |
-12.02 |
3.25 |
-8.65 |
-0.66 |
0 |
|
|
89187 |
49959826 |
1 |
BrN2O3H17C24 |
AB2C3D17E24 |
36.98 |
4.64 |
-8.75 |
-0.93 |
0 |
|
|
89188 |
49959829 |
1 |
N4O6H12C19 |
A4B6C12D19 |
45.13 |
4.67 |
-8.9 |
-2.47 |
0 |
|
|
89189 |
49959842 |
1 |
FON2H11C13 |
ABC2D11E13 |
16.76 |
4.53 |
-9.46 |
-1.2 |
0 |
|
|
89190 |
49959848 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-25.43 |
5.76 |
-9.04 |
-0.65 |
0 |
|
|
89191 |
49959851 |
1 |
ON2C14H14 |
AB2C14D14 |
54.35 |
5.66 |
-9.11 |
-0.97 |
0 |
|
|
89192 |
49959854 |
2 |
NOC7H8 |
ABC7D8 |
-7.02 |
3.23 |
-9.12 |
-1.13 |
0 |
|
|
89193 |
49959855 |
1 |
BrON2C15H17 |
ABC2D15E17 |
4.36 |
2.63 |
-9.44 |
-0.96 |
0 |
|
|
89194 |
49959858 |
1 |
ClN2O2C21H21 |
AB2C2D21E21 |
5.23 |
3.59 |
-8.91 |
-1.18 |
0 |
|
|
89195 |
49959863 |
1 |
BrN2O2C14H15 |
AB2C2D14E15 |
4.65 |
3.69 |
-9.5 |
-0.76 |
0 |
|
|
89196 |
49959869 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-26.78 |
4.57 |
-8.68 |
-1.06 |
0 |
|
|
89197 |
49959870 |
1 |
N2O3C26H26 |
A2B3C26D26 |
-7.91 |
3.86 |
-8.85 |
-0.94 |
0 |
|
|
89198 |
49959871 |
1 |
ON2C11H16 |
AB2C11D16 |
0.73 |
4.08 |
-10.01 |
-0.15 |
0 |
|
|
89199 |
49959878 |
1 |
ClN2O2C15H17 |
AB2C2D15E17 |
-27.82 |
4.07 |
-9.14 |
-0.54 |
0 |
|
|
89200 |
49959880 |
1 |
ON2C15H18 |
AB2C15D18 |
27.12 |
5.1 |
-9.26 |
-0.79 |
0 |
|
|
89201 |
49959883 |
1 |
BrON2C14H15 |
ABC2D14E15 |
17.05 |
3.12 |
-9.68 |
-1.01 |
0 |
|
|
89202 |
49959888 |
1 |
Br2N2O3H18C19 |
A2B2C3D18E19 |
-23.27 |
4.53 |
-8.91 |
-1.03 |
0 |
|
|
89203 |
49959890 |
1 |
Br2N2O3H14C17 |
A2B2C3D14E17 |
-12.19 |
6.57 |
-9.27 |
-0.98 |
0 |
|
|
89204 |
49959892 |
1 |
N2O5C18H18 |
A2B5C18D18 |
-72.52 |
4.54 |
-8.71 |
-0.88 |
0 |
|
|
89205 |
49959893 |
1 |
IN2O3H15C17 |
AB2C3D15E17 |
0.54 |
6.9 |
-8.76 |
-1.1 |
0 |
|
|
89206 |
49959894 |
1 |
FN2O3H15C18 |
AB2C3D15E18 |
-40.52 |
4.09 |
-9.0 |
-1.47 |
0 |
|
|
89207 |
49959901 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-40.82 |
4.15 |
-8.46 |
-0.83 |
0 |
|
|
89208 |
49959903 |
1 |
ON2C14H16 |
AB2C14D16 |
12.39 |
3.8 |
-9.49 |
-0.82 |
0 |
|
|
89209 |
49959909 |
1 |
BrN3O4H12C16 |
AB3C4D12E16 |
19.68 |
3.19 |
-9.29 |
-1.84 |
0 |
|
|
89210 |
49959912 |
1 |
ION2H11C15 |
ABC2D11E15 |
69.85 |
3.38 |
-9.27 |
-1.22 |
0 |
|
|
89211 |
49959921 |
1 |
BrFN2O2H14C18 |
ABC2D2E14F18 |
-13.56 |
3.8 |
-9.16 |
-1.41 |
0 |
|
|
89212 |
49959922 |
1 |
OSN2H10C14 |
ABC2D10E14 |
80.6 |
4.48 |
-9.15 |
-1.45 |
0 |
|
|
89213 |
49959923 |
1 |
BrN2O2C13H15 |
AB2C2D13E15 |
-22.79 |
3.82 |
-9.16 |
-0.68 |
0 |
|
|
89214 |
49959925 |
1 |
BrN2O2C13H13 |
AB2C2D13E13 |
9.79 |
4.17 |
-9.16 |
-0.82 |
0 |
|
|
89215 |
49959926 |
1 |
BrN2O3H15C17 |
AB2C3D15E17 |
-16.85 |
5.96 |
-9.11 |
-0.98 |
0 |
|
|
89216 |
49959974 |
1 |
N4O7H12C16 |
A4B7C12D16 |
-6.57 |
4.34 |
-9.05 |
-2.52 |
0 |
|
|
89217 |
49960002 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-15.7 |
3.76 |
-9.17 |
-0.62 |
0 |
|
|
89218 |
49960034 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-30.88 |
4.58 |
-8.96 |
-1.26 |
0 |
|
|
89219 |
49960036 |
1 |
FN2O2H17C19 |
AB2C2D17E19 |
-17.85 |
4.45 |
-8.92 |
-1.31 |
0 |
|
|
89220 |
49960037 |
1 |
N2O2H12C17 |
A2B2C12D17 |
48.14 |
3.55 |
-8.96 |
-1.0 |
0 |
|
|
89221 |
49960046 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-8.86 |
4.08 |
-8.9 |
-1.22 |
0 |
|
|
89222 |
49960051 |
1 |
N2O2H20C23 |
A2B2C20D23 |
47.0 |
4.5 |
-8.9 |
-1.14 |
0 |
|
|
89223 |
49960054 |
1 |
BrN2O3C20H21 |
AB2C3D20E21 |
-31.11 |
3.48 |
-9.0 |
-0.97 |
0 |
|
|
89224 |
49960056 |
1 |
BrN2O3H13C15 |
AB2C3D13E15 |
-0.72 |
3.49 |
-8.91 |
-1.38 |
0 |
|
|
89225 |
49960057 |
1 |
N2O3H16C17 |
A2B3C16D17 |
-4.85 |
3.19 |
-8.84 |
-1.38 |
0 |
|
|
89226 |
49960059 |
1 |
BrClN2O2H14C20 |
ABC2D2E14F20 |
33.95 |
3.1 |
-9.15 |
-0.81 |
0 |
|
|
89227 |
49960060 |
2 |
NOH10C11 |
ABC10D11 |
22.56 |
4.54 |
-8.76 |
-0.73 |
0 |
|
|
89228 |
49960061 |
1 |
BrN2O2H17C21 |
AB2C2D17E21 |
34.6 |
4.4 |
-9.06 |
-0.84 |
0 |
|
|
89229 |
49960062 |
1 |
N2O2C21H24 |
A2B2C21D24 |
-7.89 |
4.63 |
-8.82 |
-0.95 |
0 |
|
|
89230 |
49960076 |
1 |
Br2N2O3H16C22 |
A2B2C3D16E22 |
26.07 |
6.44 |
-8.94 |
-1.17 |
0 |
|
|
89231 |
49960081 |
1 |
Br2N2O3H18C22 |
A2B2C3D18E22 |
5.6 |
4.02 |
-9.01 |
-1.19 |
0 |
|
|
89232 |
49960085 |
1 |
BrN3O4H12C16 |
AB3C4D12E16 |
21.22 |
3.05 |
-9.17 |
-1.93 |
0 |
|
|
89233 |
49960088 |
1 |
Cl2N2O2H12C17 |
A2B2C2D12E17 |
27.05 |
5.17 |
-9.21 |
-1.24 |
0 |
|
|
89234 |
49960092 |
1 |
N3O4H15C17 |
A3B4C15D17 |
13.97 |
1.5 |
-9.01 |
-1.82 |
0 |
|
|
89235 |
49960093 |
1 |
ClN3O4H10C15 |
AB3C4D10E15 |
21.02 |
8.0 |
-9.45 |
-1.77 |
0 |
|
|
89236 |
49960096 |
1 |
FBr2N2O2H13C21 |
AB2C2D2E13F21 |
19.68 |
4.67 |
-8.99 |
-1.4 |
0 |
|
|
89237 |
49960097 |
1 |
Br2N2O4H18C23 |
A2B2C4D18E23 |
-12.13 |
3.86 |
-8.59 |
-1.21 |
0 |
|
|
89238 |
49960104 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
-9.25 |
4.56 |
-8.77 |
-1.04 |
0 |
|
|
89239 |
49960108 |
1 |
BrN3O3H10C15 |
AB3C3D10E15 |
52.44 |
2.64 |
-9.63 |
-1.8 |
0 |
|
|
89240 |
49960119 |
1 |
Br2N2O2H16C25 |
A2B2C2D16E25 |
77.88 |
2.86 |
-9.02 |
-1.19 |
0 |
|
|
89241 |
49960120 |
1 |
ClN2Br3O3H12C20 |
AB2C3D3E12F20 |
18.04 |
3.8 |
-9.06 |
-1.28 |
0 |
|
|
89242 |
49960121 |
1 |
ClBr2N2O3H17C22 |
AB2C2D3E17F22 |
-8.66 |
1.36 |
-9.01 |
-1.24 |
0 |
|
|
89243 |
49960122 |
1 |
ClBr2N2O3H15C21 |
AB2C2D3E15F21 |
-20.17 |
4.59 |
-9.12 |
-1.31 |
0 |
|
|
89244 |
49960123 |
1 |
Br2N2O3H20C23 |
A2B2C3D20E23 |
0.68 |
3.25 |
-8.98 |
-1.08 |
0 |
|
|
89245 |
49960124 |
1 |
ClBr2N2O2H13C21 |
AB2C2D2E13F21 |
58.19 |
5.42 |
-8.94 |
-1.37 |
0 |
|
|
89246 |
49960125 |
1 |
Br2N2O3H16C22 |
A2B2C3D16E22 |
26.47 |
6.81 |
-8.92 |
-1.17 |
0 |
|
|
89247 |
49960127 |
1 |
Br2N2O3H18C22 |
A2B2C3D18E22 |
-0.61 |
2.27 |
-8.99 |
-1.1 |
0 |