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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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292400 115001282 1 N2O2C13H22 A2B2C13D22 -83.92 3.76 -9.1 0.68 0
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292401 115001284 1 ON4C12H22 AB4C12D22 -46.56 3.54 -8.71 0.63 0
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292402 115001287 1 ClFN4H8C10 ABC4D8E10 35.01 6.33 -9.46 -1.17 0
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292403 115001288 1 ClFN4H8C10 ABC4D8E10 36.1 6.3 -9.31 -1.29 0
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292404 115001289 1 ClFN4H8C10 ABC4D8E10 33.56 6.65 -9.4 -1.2 0
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292405 115001291 1 ClFN4H8C10 ABC4D8E10 34.82 4.96 -9.57 -1.2 0
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292406 115001294 1 ClFN4H8C10 ABC4D8E10 43.67 5.51 -9.44 -1.14 0
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292407 115001296 1 ClON4C10H11 ABC4D10E11 49.11 6.56 -9.5 -0.89 0
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292408 115001297 1 ClON4C10H11 ABC4D10E11 45.7 7.28 -9.38 -0.81 0
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292409 115001298 1 ClN6C9H11 AB6C9D11 93.75 3.12 -9.74 -1.12 0
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292410 115001302 1 ClO2S2C8H11 AB2C2D8E11 -87.12 5.14 -9.24 -1.08 0
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292411 115001303 1 O3C12H26 A3B12C26 -176.89 3.85 -9.8 1.84 0
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292412 115001304 1 NO5C9H17 AB5C9D17 -226.2 4.44 -9.86 0.18 0
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292413 115001305 1 NO4C10H21 AB4C10D21 -180.09 4.67 -9.13 0.79 0
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292414 115001308 1 NO4C10H21 AB4C10D21 -195.82 5.53 -9.51 0.87 0
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292415 115001310 1 NO2C13H17 AB2C13D17 -52.16 2.78 -8.9 0.26 0
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292416 115001312 1 NO2C13H17 AB2C13D17 -44.02 5.04 -9.57 0.19 0
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292417 115001314 1 NOC14H21 ABC14D21 -44.66 1.87 -9.12 0.46 0
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292418 115001318 1 NOC14H21 ABC14D21 -10.44 1.86 -9.1 0.4 0
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292419 115001319 1 NOC14H21 ABC14D21 -48.65 1.13 -8.44 0.27 0
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292420 115001320 1 NOC14H21 ABC14D21 -44.69 1.58 -8.47 0.24 0
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292421 115001321 1 NOC14H21 ABC14D21 -18.45 3.38 -8.82 0.35 0
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292422 115001330 1 NOC14H21 ABC14D21 -41.13 1.32 -9.21 0.3 0
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292423 115001332 1 N3C13H21 A3B13C21 24.22 4.75 -8.97 0.69 0
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292424 115001335 1 NSO2C10H21 ABC2D10E21 -116.5 6.17 -9.03 1.11 0
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292425 115001336 1 NSO2C10H21 ABC2D10E21 -114.72 6.15 -9.29 1.01 0
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292426 115001337 1 NOSC11H25 ABCD11E25 -75.47 2.82 -8.57 0.8 0
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292427 115001341 1 FON2C12H13 ABC2D12E13 -55.39 2.2 -9.28 -0.48 0
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292428 115001344 1 FON2C12H13 ABC2D12E13 -46.34 1.43 -9.08 -0.56 0
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292429 115001351 2 OC7H10 AB7C10 -84.77 2.65 -9.68 -0.45 0
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292430 115001354 2 OC7H10 AB7C10 -84.02 1.71 -9.59 -0.34 0
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292431 115001361 1 ON2C13H20 AB2C13D20 -10.25 1.79 -8.88 -0.08 0
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292432 115001371 2 NC7H12 AB7C12 -8.94 2.78 -7.94 0.94 0
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292433 115001377 1 NO2C13H19 AB2C13D19 -68.22 1.88 -9.68 -0.92 0
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292434 115001378 1 NO2C13H19 AB2C13D19 -70.05 0.48 -9.86 -1.02 0
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292435 115001384 1 NO2C13H19 AB2C13D19 -72.32 2.56 -9.41 0.17 0
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292436 115001386 1 NSO3C9H19 ABC3D9E19 -145.69 5.23 -9.1 1.23 0
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292437 115001389 1 NOC14H23 ABC14D23 -45.9 1.09 -8.87 0.54 0
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292438 115001390 1 NOC14H23 ABC14D23 -43.96 1.53 -8.75 0.44 0
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292439 115001392 1 NOC14H23 ABC14D23 -41.9 2.35 -9.02 0.45 0
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292440 115001398 1 NOC14H23 ABC14D23 -42.81 1.15 -8.73 0.4 0
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292441 115001399 1 NOC14H23 ABC14D23 -40.51 2.75 -8.97 0.35 0
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292442 115001403 1 NOC14H23 ABC14D23 -41.17 2.56 -8.96 0.34 0
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292443 115001408 1 NOC14H23 ABC14D23 -46.65 2.24 -9.34 0.44 0
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292444 115001409 1 NOC14H23 ABC14D23 -55.32 3.17 -9.2 0.28 0
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292445 115001412 1 NOC14H23 ABC14D23 -44.0 1.48 -9.34 0.44 0
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292446 115001418 1 NOC14H23 ABC14D23 -51.15 2.47 -8.92 0.37 0
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292447 115001422 1 NOC14H23 ABC14D23 -48.91 2.98 -9.11 0.4 0
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292448 115001429 1 NOC14H23 ABC14D23 -49.74 1.5 -9.0 0.3 0
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292449 115001430 1 NOC14H23 ABC14D23 -51.37 1.46 -9.02 0.32 0