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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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200220 79364153 1 N4C15H22 A4B15C22 27.18 6.96 -9.0 -0.38 0
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200221 79364670 1 NO2C16H33 AB2C16D33 -135.41 2.32 -9.01 2.16 0
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200222 79364955 1 NO3C15H21 AB3C15D21 -118.07 4.12 -8.35 -0.01 0
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200223 79364970 2 OC7H10 AB7C10 -98.59 2.18 -9.02 0.42 0
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200224 79364971 1 O5C14H20 A5B14C20 -190.03 1.66 -8.84 0.27 0
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200225 79365097 1 NOC16H31 ABC16D31 -91.05 1.45 -8.89 2.49 0
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200226 79365712 1 NCl2O2C14H19 AB2C2D14E19 -83.81 2.34 -9.25 -0.44 0
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200227 79366186 1 FO3C12H21 AB3C12D21 -226.27 1.57 -10.57 0.62 0
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200228 79366552 1 FO4C13H17 AB4C13D17 -211.26 4.47 -8.96 0.14 0
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200229 79366553 1 BrFO5C13H14 ABC5D13E14 -234.39 4.3 -9.12 -0.53 0
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200230 79366588 1 NO2C15H23 AB2C15D23 -75.32 2.02 -8.59 0.22 0
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200231 79366589 1 ON2C15H24 AB2C15D24 -28.28 0.76 -8.5 0.39 0
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200232 79368253 1 NOC17H27 ABC17D27 -55.12 2.74 -8.87 0.43 0
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200233 79368470 1 NOSC14H19 ABCD14E19 56.35 3.19 -8.46 0.17 0
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200234 79368471 1 NO3H13C14 AB3C13D14 -95.29 3.41 -8.97 -1.13 0
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200235 79369010 1 N2O3C9H16 A2B3C9D16 -147.42 7.86 -9.38 0.61 0
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200236 79369213 1 BrNSO5C13H16 ABCD5E13F16 -184.24 4.59 -9.71 -0.81 0
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200237 79369214 1 SN3O5C12H17 AB3C5D12E17 -193.34 2.13 -9.66 -0.41 0
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200238 79369351 1 ON2C18H28 AB2C18D28 -39.22 3.45 -8.49 0.38 0
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200239 79369823 1 ON2C17H24 AB2C17D24 -28.36 3.6 -8.52 0.36 0
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200240 79369829 1 ON2C18H26 AB2C18D26 -9.16 0.83 -8.51 0.33 0
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200241 79369984 1 IN2O3C14H17 AB2C3D14E17 -98.88 4.0 -9.24 -0.98 0
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200242 79371069 1 NF3O3C9H14 AB3C3D9E14 -309.25 6.46 -9.83 0.06 0
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200243 79371304 1 FNO3C14H18 ABC3D14E18 -156.68 1.76 -9.04 -0.23 0
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200244 79371612 1 ON2C17H24 AB2C17D24 -28.41 3.94 -8.56 0.22 0