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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393987 135022112 2 C12H13 A12B13 101.0 1.74 -7.52 -0.75 0
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393988 135022118 1 SiO3C28H28 AB3C28D28 -62.84 3.74 -9.4 -0.27 0
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393989 135022124 2 N2O2C19H22 A2B2C19D22 135.57 4.54 -8.1 0.19 0
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393990 135022132 1 O3C17H24 A3B17C24 -106.05 3.29 -8.86 0.45 0
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393991 135022134 1 ClSO2H7C10 ABC2D7E10 -41.08 4.07 -9.57 -1.38 0
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393992 135022135 1 OS2H22C23 AB2C22D23 35.07 2.88 -8.12 -0.19 0
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393993 135022137 2 NO2H4C6 AB2C4D6 -32.97 0.02 -9.92 -1.78 0
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393995 135022141 1 O3H20C23 A3B20C23 -40.6 4.01 -8.81 -0.48 0
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393996 135022142 1 FSO2H17C21 ABC2D17E21 -49.81 1.27 -9.1 -0.59 0
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393997 135022143 3 OC6H8 AB6C8 -105.99 3.22 -8.96 -0.52 0
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393998 135022144 1 BKCl2F3C5H7 ABC2D3E5F7 -357.93 8.99 -9.2 0.05 -1
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393999 135022145 1 BCl2F3C5H7 AB2C3D5E7 -239.13 9.3 0.0 0.0 0
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394000 135022146 1 NSO6C13H25 ABC6D13E25 -309.54 5.74 -10.01 0.07 0
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394001 135022147 1 N2H18C25 A2B18C25 190.63 3.06 -9.17 -0.87 0
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394002 135022148 1 SiO6C27H32 AB6C27D32 -244.04 3.91 -9.06 -1.1 0
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394003 135022149 1 SiO5C29H38 AB5C29D38 -198.96 3.95 -8.94 0.13 0
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394005 135022153 1 PS2C14H31 AB2C14D31 -127.8 5.03 -8.75 -0.25 0
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394006 135022154 1 SiO5C27H34 AB5C27D34 -211.98 4.16 -8.89 0.08 0
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394007 135022163 1 Cl2O3H16C21 A2B3C16D21 -63.72 1.21 -8.72 -1.2 0
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394008 135022164 2 ClOH6C10 ABC6D10 -13.21 3.67 -9.1 -0.97 0
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394009 135022165 1 BrO2H13C20 AB2C13D20 14.01 3.49 -8.93 -0.89 0
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394010 135022166 1 NSO7C29H37 ABC7D29E37 -272.57 2.86 -9.04 -0.62 0
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394011 135022167 1 NO3C17H25 AB3C17D25 -149.16 2.46 -9.6 0.02 0
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394012 135022168 1 NOSH15C18 ABCD15E18 51.47 3.95 -8.35 -0.34 0
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394013 135022169 1 ClNO2H8C11 ABC2D8E11 -37.63 6.63 -9.68 -1.17 0
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394014 135022170 1 OF3H13C18 AB3C13D18 -141.81 4.72 -9.12 -0.75 0
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394015 135022171 1 ClS2H19C22 AB2C19D22 64.63 2.78 -8.49 -0.32 0
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394016 135022172 1 PF2O4H23C24 AB2C4D23E24 -234.0 8.68 -8.43 -0.46 0
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394017 135022173 1 SO2H16C17 AB2C16D17 -35.73 2.36 -8.89 -0.3 0
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394018 135022174 1 NSO2H7C9 ABC2D7E9 -25.67 6.08 -9.64 -1.55 0
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394019 135022175 1 NOH13C18 ABC13D18 51.28 5.8 -9.23 -0.88 0
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394020 135022176 1 NO3C18H23 AB3C18D23 -88.33 2.76 -7.86 0.42 0
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394021 135022177 1 NOSSiC17H27 ABCDE17F27 -32.82 3.07 -8.24 0.24 0
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394022 135022178 1 NOSSiC17H27 ABCDE17F27 -25.6 3.54 -8.19 0.44 0
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394023 135022179 1 BrO3C19H19 AB3C19D19 -20.3 1.88 -8.4 -0.15 0
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394024 135022180 1 O3C19H20 A3B19C20 -65.8 3.18 -8.21 -0.18 0
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394025 135022187 1 N2O4C15H22 A2B4C15D22 -135.38 4.14 -9.78 -0.95 1
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394026 135022188 1 N2O4C15H23 A2B4C15D23 -127.62 4.45 0.0 0.0 0
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394029 135022191 2 O3C9H11 A3B9C11 -210.48 2.27 -10.05 -1.01 0
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394030 135022195 1 NOPC19H24 ABCD19E24 -32.98 3.82 -8.59 0.08 0
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394031 135022196 1 O2H14C19 A2B14C19 37.21 4.12 -9.41 -1.51 0
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394032 135022197 2 OH8C10 AB8C10 33.1 4.11 -9.36 -1.46 0
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394033 135022198 1 O4C15H24 A4B15C24 -192.46 5.32 -10.29 -0.36 0
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394034 135022200 1 H22C25 A22B25 84.63 1.02 -8.81 0.27 0
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394035 135022201 20 CH AB 53.06 1.13 -8.62 0.4 0
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394036 135022202 20 CH AB 51.52 0.92 -8.68 0.41 0
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394037 135022203 20 CH AB 51.8 0.74 -8.76 0.34 0
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394038 135022204 1 O3H18C25 A3B18C25 18.45 3.59 -9.02 -0.95 0
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394039 135022205 2 OH10C13 AB10C13 57.64 1.47 -9.12 -0.26 0
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394040 135022206 2 OH10C13 AB10C13 56.72 1.5 -8.63 -0.59 0