List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
5335 12990 1 OC6H10 AB6C10 -43.21 3.33 -10.06 -0.03 0
5336 12991 1 OC4H6 AB4C6 -3.21 2.86 -10.25 1.25 0
5337 12992 2 C4H7 A4B7 -9.14 0.02 -8.23 0.88 0
5338 12994 2 HNC2 ABC2 79.75 0.0 -11.65 -1.53 0
5339 12995 2 OC2H4 AB2C4 -75.75 1.34 -9.6 1.04 0
5340 12998 1 O3C8H14 A3B8C14 -95.81 0.66 -9.55 0.9 0
5341 13000 1 BrC13H27 AB13C27 -63.56 1.96 -10.4 0.03 0
5342 13002 1 O2C3H4 A2B3C4 -34.83 1.88 -10.39 -0.32 0
5343 13003 1 NC5H11 AB5C11 -16.09 1.95 -9.02 3.13 0
5344 13005 2 OC3H4 AB3C4 -88.24 1.8 -10.19 0.19 0
5345 13006 2 OC3H4 AB3C4 -77.87 4.94 -9.63 -0.36 0
5346 13007 1 NC7H15 AB7C15 -21.07 1.48 -8.48 2.99 0
5347 13009 2 OC3H6 AB3C6 -108.35 2.37 -9.95 2.0 0
5348 13010 3 OC2H2 AB2C2 -106.52 5.77 -11.09 -1.6 0
5349 13012 1 ClOC7H11 ABC7D11 -68.51 5.09 -10.11 0.24 0
5350 13013 1 NO2C6H11 AB2C6D11 -67.77 2.71 -10.41 0.54 0
5351 13015 1 ClNH4C7 ABC4D7 46.31 3.38 -10.07 -1.04 0
5352 13016 1 SC8H10 AB8C10 18.29 1.51 -8.56 0.12 0
5353 13017 1 NOC7H13 ABC7D13 -62.88 4.11 -9.76 1.08 0
5354 13023 2 C5H6 A5B6 6.41 0.93 -9.02 0.53 0
5355 13024 10 CH AB 34.81 0.81 -8.88 0.02 0
5356 13025 10 CH AB 29.98 0.45 -8.77 0.09 0
5357 13030 2 C5H6 A5B6 18.2 1.52 -9.1 0.54 0
5358 13031 1 OC9H14 AB9C14 -55.46 3.05 -9.34 0.66 0
5359 13033 2 C5H6 A5B6 27.26 0.21 -9.33 0.4 0
5360 13034 1 OC9H12 AB9C12 -37.92 2.66 -9.42 0.14 0
5361 13035 1 NC9H19 AB9C19 -42.94 1.21 -8.65 3.21 0
5362 13036 1 C11H14 A11B14 9.77 0.06 -8.88 0.66 0
5363 13041 1 HOF5C6 ABC5D6 -234.88 1.96 -10.08 -1.29 0
5364 13043 2 C6H7 A6B7 18.63 0.65 -8.9 0.26 0
5365 13045 1 NOC5H5F6 ABC5D5E6 -327.73 3.93 -11.15 0.12 0
5366 13047 1 OC12H12 AB12C12 -14.56 1.65 -8.86 -0.49 0
5367 13048 1 ClON2C10H17 ABC2D10E17 -75.55 5.5 -8.68 0.12 0
5368 13053 1 FNO2H8C9 ABC2D8E9 -24.6 3.39 -10.12 -1.25 0
5369 13054 2 HC3F4 AB3C4 -385.83 3.09 -12.39 -1.17 0
5370 13056 1 NC13H26 AB13C26 -10.57 0.51 0.0 0.0 1
5371 13057 2 NOH4C5 ABC4D5 31.11 8.69 -8.9 -1.24 0
5372 13063 1 FN5C8H14 AB5C8D14 -20.07 6.14 -9.46 -0.02 0
5373 13064 2 O2C5H8 A2B5C8 -203.32 0.25 -10.74 0.8 0
5374 13065 1 C15H16 A15B16 34.22 0.6 -9.2 0.42 0
5375 13069 1 NH11C14 AB11C14 59.2 2.18 -7.77 -0.75 0
5376 13071 1 NOC13H19 ABC13D19 -37.63 2.44 -7.8 0.33 0
5377 13072 1 NO2C12H17 AB2C12D17 -83.53 2.68 -9.08 0.28 0
5379 13074 1 N2O3C11H14 A2B3C11D14 -104.08 1.37 -10.67 -0.58 0
5380 13076 2 H7C8 A7B8 46.1 0.08 -7.95 -0.73 0
5381 13077 2 OC7H7 AB7C7 -62.14 4.65 -9.07 -0.69 0
5382 13079 2 ClNH5C6 ABC5D6 49.32 1.93 -8.89 -0.34 0
5383 13080 1 NO2C14H21 AB2C14D21 -71.45 1.94 -8.96 0.23 0
5384 13081 1 ClPO2S3C11H16 ABC2D3E11F16 -155.56 1.86 -8.99 -0.73 0
5385 13084 2 O2H5C7 A2B5C7 -117.32 1.77 -10.28 -1.38 0