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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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122112 50794932 1 O3N6C17H20 A3B6C17D20 -28.51 6.53 -9.01 -1.3 0
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122113 50794966 1 N2O3C18H22 A2B3C18D22 -110.38 5.0 -8.77 -0.98 0
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122114 50794993 2 O2N3C9H11 A2B3C9D11 -80.77 5.04 -8.81 -1.21 0
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122115 50795155 1 N7C19H27 A7B19C27 83.96 2.58 -8.37 -0.24 0
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122116 50795156 1 N2O3C24H26 A2B3C24D26 -81.42 3.16 -9.18 -1.1 0
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122117 50795157 1 N2O3C25H28 A2B3C25D28 -79.44 8.36 -9.05 -1.14 0
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122118 50795158 2 NO3H11C13 AB3C11D13 -147.8 2.54 -8.92 -1.02 0
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122119 50795177 1 N7C19H25 A7B19C25 84.61 2.11 -8.25 -0.18 0
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122120 50795245 1 N6C21H22 A6B21C22 114.34 2.63 -8.47 -0.11 0
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122121 50795246 1 ON6C18H22 AB6C18D22 53.67 3.64 -8.14 -0.1 0
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122122 50795402 2 N3C7H11 A3B7C11 52.41 3.5 -8.24 0.12 0
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122123 50795618 1 FN3O3H24C26 AB3C3D24E26 -55.41 1.38 -9.04 -1.06 0
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122124 50795755 1 FN4O4H15C21 AB4C4D15E21 -82.98 3.03 -8.72 -1.14 0
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122125 50795756 2 N2O2C14H15 A2B2C14D15 -63.63 4.1 -8.18 -0.75 0
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122126 50795806 1 FO2N5H22C23 AB2C5D22E23 -35.92 7.46 -8.3 -1.27 0
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122127 50795807 1 ClO2N5H20C22 AB2C5D20E22 11.47 6.28 -8.74 -1.26 0
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122128 50795808 1 ClO2N5H20C22 AB2C5D20E22 11.28 7.23 -8.42 -1.36 0
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122129 50795962 1 SF2O2N5H17C20 AB2C2D5E17F20 -59.65 10.34 -9.22 -1.05 0
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122130 50795963 1 F2O2N5C22H25 A2B2C5D22E25 -110.89 6.6 -9.54 -1.38 0
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122131 50795964 1 ClO3N5C25H26 AB3C5D25E26 -36.36 8.78 -8.99 -0.51 0
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122132 50795965 1 O3N7C26H29 A3B7C26D29 -6.9 11.18 -8.75 -0.56 0
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122133 50795966 1 O2N5C22H27 A2B5C22D27 -29.66 6.74 -9.05 -0.9 0
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122134 50795967 1 O2N6C29H34 A2B6C29D34 1.27 8.15 -8.86 -0.64 0
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122135 50796056 1 O3N4C28H32 A3B4C28D32 -56.73 4.0 -8.32 -0.44 0
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122136 50796057 1 ClO3N4C27H29 AB3C4D27E29 -56.24 5.64 -8.37 -0.62 0