List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
411328 135084151 3 C5H6 A5B6 54.74 1.58 -8.75 0.15 0
411329 135084152 1 ON3C11H17 AB3C11D17 36.15 5.48 -9.91 -0.16 0
411330 135084153 1 NO2C7H11 AB2C7D11 -37.42 4.23 -10.19 0.5 0
411331 135084154 1 BrOC11H11 ABC11D11 -6.4 3.31 -9.53 -0.71 0
411332 135084155 1 OC15H22 AB15C22 -49.78 1.54 -9.3 0.38 0
411333 135084156 2 NOC6H6 ABC6D6 -0.38 0.86 -8.66 -0.86 1
411334 135084157 1 N2O2C12H13 A2B2C12D13 11.63 5.96 0.0 0.0 0
411335 135084158 1 FNO2C12H12 ABC2D12E12 -54.49 4.8 -9.65 -0.46 0
411336 135084159 1 NO2C10H17 AB2C10D17 -55.59 4.13 -10.18 0.57 0
411337 135084160 1 O3C14H24 A3B14C24 -138.08 4.02 -10.12 0.24 0
411338 135084161 1 NBr2O2H7C9 AB2C2D7E9 -33.73 3.88 -10.03 -1.25 0
411339 135084162 1 O2F3C11H11 A2B3C11D11 -235.8 2.32 -10.4 -0.78 0
411340 135084163 2 OC6H10 AB6C10 -87.12 3.87 -9.44 0.05 0
411342 135084165 1 OSiC9H18 ABC9D18 -80.87 1.66 -9.6 0.78 0
411343 135084166 1 AuClNC13H17 ABCD13E17 75.45 11.41 -10.09 -1.77 0
411344 135084167 1 NaCl2N2H3C7 AB2C2D3E7 3.22 8.39 -8.16 -0.42 0
411345 135084168 1 NC15H17 AB15C17 97.56 2.08 -8.12 0.59 0
411346 135084169 1 ON2Cl3C11H13 AB2C3D11E13 -52.7 2.75 -10.11 -1.08 0
411347 135084170 1 BrF3H8C11 AB3C8D11 -110.53 4.56 -9.92 -0.74 0
411348 135084171 1 BrNO3C12H16 ABC3D12E16 -113.57 2.45 -9.32 -0.16 0
411349 135084172 1 FC16H17 AB16C17 32.08 2.36 -9.56 -0.06 0
411350 135084173 1 OC14H18 AB14C18 -22.09 3.31 -9.62 -0.61 1
411351 135084174 1 ON2C11H17 AB2C11D17 14.36 1.03 0.0 0.0 0
411352 135084175 1 ClON2F3H8C10 ABC2D3E8F10 -145.15 1.94 -9.24 -0.97 0
411353 135084176 1 O2S2H8C11 A2B2C8D11 -0.04 3.13 -9.16 -1.35 0
411354 135084177 2 OC5H9 AB5C9 -65.49 2.3 -9.77 1.14 0
411355 135084178 1 ClSN2O4C7H7 ABC2D4E7F7 -31.37 2.91 -10.1 -2.12 0
411356 135084179 1 SF3O3C9H13 AB3C3D9E13 -294.01 6.99 -10.85 -0.59 0
411357 135084180 1 NO3C7H11 AB3C7D11 -88.44 3.87 -9.32 0.03 0
411358 135084181 1 O2C11H18 A2B11C18 -95.38 1.84 -9.09 0.55 0
411359 135084182 1 O5C11H16 A5B11C16 -208.54 2.79 -9.73 -0.16 0
411360 135084183 1 NO2H11C13 AB2C11D13 5.97 3.55 -9.18 -1.05 0
411361 135084184 1 BrNO2C10H10 ABC2D10E10 -22.03 5.44 -9.59 -0.71 0
411362 135084185 1 BrON5C10H10 ABC5D10E10 132.02 6.23 -9.07 -1.81 0
411363 135084186 1 HNF4C7 ABC4D7 -100.29 1.88 -10.61 -1.5 0
411364 135084187 1 N3O4H7C8 A3B4C7D8 32.97 5.81 -11.17 -2.09 0
411365 135084188 1 ClOC13H17 ABC13D17 -47.04 2.69 -9.3 -0.05 0
411366 135084189 1 H12C13 A12B13 104.04 1.07 -8.76 -0.2 0
411367 135084190 1 ClOC13H15 ABC13D15 -22.98 3.85 -9.12 0.15 0
411368 135084191 1 O3C10H16 A3B10C16 -139.39 2.24 -10.39 -0.25 0
411369 135084192 1 ClN2O2H9C11 AB2C2D9E11 -0.27 3.36 -9.43 -1.03 1
411370 135084193 1 ClN2O2H10C11 AB2C2D10E11 8.93 6.02 0.0 0.0 0
411371 135084194 1 BrNSO2C12H14 ABCD2E12F14 -10.33 5.03 -9.48 -1.29 0
411372 135084195 1 ClO2C14H15 AB2C14D15 -21.3 1.57 -9.14 -0.33 0
411373 135084196 2 O2C5H9 A2B5C9 -172.23 4.44 -10.4 0.51 0
411374 135084197 2 OC6H10 AB6C10 -71.3 4.13 -9.96 0.66 0
411375 135084198 1 NO2C13H23 AB2C13D23 -71.37 3.56 -9.12 0.47 0
411376 135084199 1 O5C12H20 A5B12C20 -226.53 1.88 -9.95 0.2 0
411377 135084200 1 O2C11H16 A2B11C16 -57.82 1.75 -10.09 0.41 0
411378 135084201 2 OSC5H5 ABC5D5 -7.5 1.85 -8.27 -0.59 0