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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145764 53589549 2 N3C8H9 A3B8C9 109.2 3.84 -8.66 -0.77 0
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145765 53590218 1 BrN2S2O5C16H17 AB2C2D5E16F17 -151.99 9.13 -8.71 -1.5 0
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145766 53590378 1 NO4C19H29 AB4C19D29 -171.64 4.73 -8.63 0.26 0
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145767 53590682 1 N2O5C17H24 A2B5C17D24 -217.53 4.41 -8.8 -0.01 0
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145768 53590683 1 O3N5C17H27 A3B5C17D27 -95.74 2.76 -9.36 -0.16 0
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145769 53590749 1 ClSN2O2C16H23 ABC2D2E16F23 -82.31 6.46 -9.17 -0.17 0
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145770 53590750 3 NC4H7 AB4C7 28.29 1.66 -9.05 0.88 0
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145771 53590751 1 SO3N4C13H24 AB3C4D13E24 -70.05 5.99 -8.8 -0.19 0
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145772 53590855 1 FON3C18H22 ABC3D18E22 -37.13 6.87 -9.06 -0.31 0
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145773 53591055 1 O2N4C17H26 A2B4C17D26 -83.54 5.09 -9.27 0.12 0
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145774 53591155 1 FN5C16H20 AB5C16D20 13.97 5.19 -8.88 -0.12 0
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145775 53591156 1 N2O3C19H26 A2B3C19D26 -104.41 4.43 -8.55 -0.21 0
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145776 53591505 1 ON5C20H23 AB5C20D23 27.75 5.66 -8.61 -0.35 0
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145777 53591506 1 ON4C17H20 AB4C17D20 19.21 6.17 -8.65 -0.22 0
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145778 53591735 1 O2N4C17H26 A2B4C17D26 -43.37 5.51 -8.96 -0.34 0
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145779 53591835 1 SN6C15H18 AB6C15D18 118.91 5.15 -9.09 -1.39 0
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145780 53592047 1 O3N4C15H22 A3B4C15D22 -97.77 2.88 -8.97 -0.05 0
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145781 53592389 1 ClFO2N3C16H21 ABC2D3E16F21 -146.47 5.3 -9.65 -0.48 0
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145782 53592390 1 OF2N3C17H17 AB2C3D17E17 -94.81 7.63 -8.72 -0.51 0
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145783 53592391 2 NOSH6C8 ABCD6E8 5.56 3.0 -9.21 -1.41 0
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145784 53592392 1 FO2N5C17H22 AB2C5D17E22 -88.19 3.85 -8.98 -0.4 0
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145785 53592681 2 ON2C8H17 AB2C8D17 -133.01 3.56 -8.91 0.94 0
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145786 53592749 1 O2N4C17H26 A2B4C17D26 -58.98 4.29 -8.96 -0.35 0
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145787 53592977 1 ON3F4H15C16 AB3C4D15E16 -195.25 6.88 -9.48 -1.35 0
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145788 53592978 1 ON5C19H21 AB5C19D21 44.58 5.87 -8.73 -0.3 0