List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
411020 135083825 1 NBr2O2C7H7 AB2C2D7E7 2.53 2.39 -9.21 -1.07 0
411021 135083826 1 NOC14H21 ABC14D21 -32.81 2.41 -8.22 0.27 0
411022 135083827 1 BrMgSH5C6 ABCD5E6 -4.36 0.96 -8.73 -0.47 0
411023 135083828 1 BO4C12H13 AB4C12D13 -187.78 2.04 -8.69 -0.78 0
411024 135083829 1 ClZnF3C7H10 ABC3D7E10 -173.07 3.21 -9.2 -1.6 0
411025 135083830 1 N2O2C11H12 A2B2C11D12 -3.88 3.71 -9.2 -0.39 1
411026 135083831 1 N2O2C11H13 A2B2C11D13 -5.37 3.3 0.0 0.0 0
411027 135083832 1 NO2C13H13 AB2C13D13 -6.93 1.57 -8.4 -0.63 0
411028 135083834 1 NO3C14H17 AB3C14D17 -83.45 1.8 -9.49 -0.41 0
411029 135083835 1 NO2C8H11 AB2C8D11 3.44 3.95 -9.83 0.12 0
411030 135083838 1 NOC14H17 ABC14D17 -11.67 2.26 -9.83 -0.76 0
411031 135083839 1 O2S2N3C7H7 A2B2C3D7E7 7.0 2.28 -8.87 -0.69 0
411032 135083841 1 NSO5C9H9 ABC5D9E9 -135.83 5.97 -9.18 -0.65 0
411033 135083842 1 BrO2C9H15 AB2C9D15 -100.24 2.49 -10.56 -0.11 0
411034 135083843 1 BrN3O3C7H12 AB3C3D7E12 -122.15 3.83 -8.87 -0.29 0
411035 135083844 1 BrOSN2C8H9 ABCD2E8F9 -19.95 4.77 -8.85 -0.57 0
411036 135083845 1 NBr2C9H9 AB2C9D9 33.63 1.86 -8.47 -0.65 0
411037 135083846 1 ON2Cl3H3C10 AB2C3D3E10 50.82 1.7 -9.68 -1.93 0
411038 135083847 2 OC7H7 AB7C7 1.67 4.42 -9.9 -0.46 0
411039 135083848 1 LiOC12H21 ABC12D21 -69.69 5.12 -8.56 0.92 0
411040 135083849 1 BKNSO2F4C7H7 ABCDE2F4G7H7 -447.32 7.41 -8.88 -0.73 -1
411041 135083850 1 BNSO2F4C7H7 ABCD2E4F7G7 -349.34 3.76 0.0 0.0 0
411042 135083851 1 BKNOF3C7H12 ABCDE3F7G12 -399.99 7.45 -8.61 0.43 -1
411043 135083852 1 BNOF3C7H12 ABCD3E7F12 -311.28 3.82 0.0 0.0 0
411044 135083853 1 S2O3H10C13 A2B3C10D13 -73.14 3.06 -8.3 -0.66 0
411045 135083854 1 PbS2C8H18 AB2C8D18 -65.11 1.05 -8.5 -0.97 0
411046 135083855 1 N2O3C11H16 A2B3C11D16 -123.6 2.85 -9.46 -0.48 0
411047 135083856 1 O5C11H18 A5B11C18 -230.67 2.82 -10.98 -0.4 0
411048 135083857 1 ClOC13H13 ABC13D13 32.33 3.53 -9.39 -0.57 0
411049 135083858 2 OC7H8 AB7C8 8.15 2.45 -9.4 -0.34 0
411050 135083859 1 O3C14H26 A3B14C26 -176.54 2.59 -9.54 0.12 0
411051 135083860 1 N2O2C13H16 A2B2C13D16 -28.12 6.98 -8.62 -0.91 1
411052 135083861 1 N2O2C13H17 A2B2C13D17 -40.76 5.45 0.0 0.0 0
411053 135083862 1 OSiC14H20 ABC14D20 -40.15 3.03 -8.63 -0.02 0
411054 135083863 1 FN2C8H9 AB2C8D9 2.7 1.8 -8.74 -0.34 0
411055 135083864 1 SN2O2C10H14 AB2C2D10E14 -37.87 5.21 -9.64 -0.76 0
411056 135083865 1 ClON3C10H14 ABC3D10E14 -18.89 3.52 -7.85 0.0 0
411057 135083867 1 BrNSO2C10H14 ABCD2E10F14 -84.26 4.11 -9.42 -0.74 1
411058 135083868 1 NOC13H18 ABC13D18 -23.46 2.9 0.0 0.0 0
411059 135083869 1 NOC10H15 ABC10D15 -3.37 2.6 -8.8 0.3 0
411060 135083870 1 LiOC12H15 ABC12D15 -40.97 5.88 -8.85 0.66 0
411061 135083871 1 BKF3H7C12 ABC3D7E12 -239.31 10.52 -8.45 -0.37 -1
411062 135083872 1 BF3H7C12 AB3C7D12 -131.52 14.93 0.0 0.0 0
411063 135083873 1 BKNO2F3H4C8 ABCD2E3F4G8 -269.17 17.8 -9.21 -0.84 -1
411064 135083874 1 BNO2F3H4C8 ABC2D3E4F8 -138.55 7.99 0.0 0.0 0
411065 135083875 1 NO3C5H5 AB3C5D5 -87.25 1.47 -10.57 -1.45 0
411066 135083876 1 ON2S2C8H12 AB2C2D8E12 18.52 5.71 -8.14 -1.21 0
411067 135083877 1 BrFO3H10C11 ABC3D10E11 -141.54 3.02 -10.08 -1.17 0
411068 135083878 2 OC6H9 AB6C9 -58.66 2.27 -9.83 0.83 0
411069 135083879 2 OC6H8 AB6C8 15.33 2.18 -9.48 0.69 0