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