List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
339123 127260502 1 O4H14C15 A4B14C15 -120.38 2.42 -8.98 -0.79 0
339124 127260503 1 O3C17H26 A3B17C26 -153.52 3.4 -10.11 -0.66 0
339125 127260504 1 O3C21H34 A3B21C34 -173.47 2.97 -10.1 -0.65 0
339126 127260505 4 OC5H8 AB5C8 -200.09 2.21 -9.75 -0.6 0
339127 127260506 1 NO6H13C15 AB6C13D15 -123.83 8.54 -9.9 -1.0 0
339128 127260507 1 NO5H15C16 AB5C15D16 -94.83 6.92 -10.29 -1.44 0
339129 127260508 1 SO2C15H22 AB2C15D22 -94.81 1.32 -8.98 -0.63 0
339130 127260509 2 O2C9H9 A2B9C9 -125.46 1.6 -9.17 -0.94 0
339131 127260510 2 ClO2H6C8 AB2C6D8 -121.59 3.88 -9.06 -1.09 0
339132 127260511 2 O2C9H9 A2B9C9 -120.41 4.11 -9.06 -0.76 0
339133 127260512 1 BrO4H13C16 AB4C13D16 -104.0 5.32 -9.18 -1.15 0
339134 127260513 1 ClO4H15C17 AB4C15D17 -127.41 1.58 -9.17 -0.84 0
339135 127260514 1 ClO4H15C17 AB4C15D17 -121.47 2.8 -9.36 -0.91 0
339136 127260515 1 O4H16C17 A4B16C17 -115.31 2.14 -9.26 -0.94 0
339137 127260516 1 NO5H11C14 AB5C11D14 -73.62 9.14 -9.73 -1.36 0
339138 127260517 1 NSO3H15C16 ABC3D15E16 -51.03 8.07 -8.45 -0.84 0
339139 127260518 1 O2N4C13H16 A2B4C13D16 -23.66 2.26 -8.47 -0.48 0
339140 127260519 1 NO2H11C15 AB2C11D15 -6.59 6.25 -9.62 -1.09 0
339141 127260520 1 NO2C13H17 AB2C13D17 -76.06 1.33 -9.07 -0.6 0
339142 127260521 1 N3O4H9C12 A3B4C9D12 8.27 8.01 -9.61 -1.5 0
339143 127260522 1 NO3C19H23 AB3C19D23 -81.53 5.7 -9.57 -0.9 0
339144 127260523 1 NO3C18H21 AB3C18D21 -76.05 4.61 -9.46 -0.88 0
339145 127260524 1 NO3C16H21 AB3C16D21 -116.36 5.27 -9.43 -0.89 0
339146 127260525 1 NO3H19C22 AB3C19D22 -52.85 4.95 -8.93 -0.94 0
339147 127260526 1 NO3C21H27 AB3C21D27 -91.47 5.45 -9.57 -0.88 0
339148 127260527 1 O3H16C17 A3B16C17 -79.38 4.72 -9.95 -0.7 0
339149 127260528 1 NO2C16H23 AB2C16D23 -83.67 3.46 -8.61 -0.58 0
339150 127260529 1 NO3C19H19 AB3C19D19 -80.18 5.29 -9.38 -0.69 0
339151 127260530 1 O5H8C10 A5B8C10 -170.67 1.32 -10.69 -1.21 0
339152 127260531 1 NO5C13H13 AB5C13D13 -148.7 2.25 -10.21 -0.9 0
339153 127260532 1 N2O3H18C20 A2B3C18D20 -28.28 9.52 -9.64 -1.18 0
339154 127260533 1 SO5N12C41H52 AB5C12D41E52 -7.16 9.87 -8.76 -1.4 0
339155 127260534 1 N7O8C24H45 A7B8C24D45 -363.14 3.66 -9.32 0.38 0
339156 127260535 1 O2N3C19H27 A2B3C19D27 -51.49 6.55 -7.96 -0.14 0
339157 127260536 2 NO3C5H8 AB3C5D8 -243.57 5.61 -8.5 -0.01 0
339158 127260537 1 ClN3H14C18 AB3C14D18 76.32 3.9 -8.57 -1.28 0
339159 127260538 1 SCl2N2C18H20 AB2C2D18E20 16.06 1.96 -8.4 -1.15 0
339160 127260539 1 O2N5C11H13 A2B5C11D13 -4.06 2.19 -9.05 -0.77 0
339161 127260540 1 O3N6C15H20 A3B6C15D20 -55.52 5.85 -8.55 -0.63 0
339162 127260541 1 O3N6C19H30 A3B6C19D30 -77.6 4.55 -8.6 -0.71 0
339163 127260542 1 O3N6C15H22 A3B6C15D22 -58.02 6.18 -8.65 -0.78 0
339164 127260543 1 PF2N5O6C11H14 AB2C5D6E11F14 -354.98 2.69 -9.16 -0.65 0
339165 127260544 1 O4N5C10H11 A4B5C10D11 -84.19 3.18 -9.19 -0.68 0
339166 127260545 1 O3N6C17H26 A3B6C17D26 -73.18 5.55 -8.61 -0.64 0
339167 127260546 1 O3N6C19H30 A3B6C19D30 -78.88 5.36 -8.57 -0.68 0
339168 127260547 1 N5O6C21H23 A5B6C21D23 -165.41 1.6 -9.44 -0.96 0
339169 127260548 1 N5O6C21H23 A5B6C21D23 -165.86 3.58 -9.44 -0.94 0
339170 127260549 1 N5O6C22H25 A5B6C22D25 -172.29 4.3 -9.45 -0.96 0
339171 127260550 1 N5O6C22H25 A5B6C22D25 -162.99 6.42 -9.22 -0.85 0
339172 127260551 2 O2N3C6H8 A2B3C6D8 -117.48 3.67 -9.38 -0.86 0