List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
5131 12638 1 NO2C4H7 AB2C4D7 -54.64 3.09 -10.53 0.43 0
5132 12639 1 NO2C5H9 AB2C5D9 -63.18 2.82 -10.4 0.52 0
5133 12642 1 ClOC4H7 ABC4D7 -47.95 1.51 -10.56 0.56 0
5134 12643 1 NO2C13H19 AB2C13D19 -87.79 2.73 -9.1 0.28 0
5135 12645 1 ON2C15H24 AB2C15D24 -53.34 4.26 -8.43 0.35 0
5136 12650 1 NO3C10H13 AB3C10D13 -120.86 5.69 -9.3 -0.31 0
5137 12651 1 O3C7H8 A3B7C8 -112.3 4.33 -9.67 -0.4 0
5138 12652 1 ClN5C11H12 AB5C11D12 51.16 2.98 -8.84 -0.57 0
5139 12653 1 ClNO2C10H12 ABC2D10E12 -90.0 3.32 -8.97 0.01 0
5140 12654 1 ON5C8H15 AB5C8D15 -9.95 3.75 -9.3 0.23 0
5141 12655 1 NO2C12H17 AB2C12D17 -83.33 1.9 -9.07 0.29 0
5142 12658 2 C5H8 A5B8 5.09 1.49 -8.19 0.27 0
5143 12659 6 CH2 AB2 -13.9 0.15 -9.54 1.45 0
5144 12660 1 COH4N4 ABC4D4 35.04 5.84 -8.7 -0.62 0
5145 12661 2 OC2H2 AB2C2 -44.63 3.74 -10.45 0.0 0
5146 12663 3 OC2H2 AB2C2 -99.68 4.33 -10.13 -0.28 0
5147 12664 3 CFN ABC -62.67 0.0 -12.15 -2.02 0
5148 12665 1 NOC5H9 ABC5D9 -58.0 4.82 -9.7 1.34 0
5149 12667 1 FNOC6H12 ABCD6E12 -118.83 3.41 -10.5 1.1 0
5150 12668 6 C2H3 A2B3 13.72 0.06 -9.25 1.43 0
5151 12669 1 CH4 AB4 -12.29 0.0 -13.67 6.02 0
5152 12670 1 CClMgH3 ABCD3 -46.29 3.21 -10.26 0.12 0
5153 12673 1 NOPC2Cl2H6 ABCD2E2F6 -122.35 4.75 -10.2 -0.47 0
5154 12675 1 C5F12 A5B12 -604.73 0.35 -13.9 -0.63 0
5155 12676 1 BrOC3F3H4 ABC3D3E4 -198.05 2.24 -11.24 -1.21 0
5156 12677 1 O5F6C10H12 A5B6C10D12 -540.47 3.55 -11.39 -0.23 0
5157 12680 1 OC4Cl6 AB4C6 -54.48 1.43 -10.23 -1.58 0
5158 12682 1 SiC4O4H12 AB4C4D12 -264.15 0.73 -10.08 0.46 0
5159 12684 2 PO3C4H10 AB3C4D10 -396.16 2.45 -9.71 0.51 0
5160 12685 1 PO3C5H13 AB3C5D13 -208.32 4.52 -10.71 1.24 0
5161 12686 1 ClNNaO2C16H33 ABCD2E16F33 -180.34 18.29 -9.2 0.2 0
5162 12689 1 AsBr2C2H5 AB2C2D5 -23.89 3.05 -9.59 -1.25 0
5164 12692 1 BrC2Cl2H3 AB2C2D3 -22.79 1.28 -11.06 -1.02 0
5165 12693 1 ClOC4H5 ABC4D5 -34.93 4.3 -10.33 -0.68 0
5166 12694 1 NOC2Cl2H3 ABC2D2E3 -59.98 2.53 -10.87 -0.63 0
5167 12696 1 OPC8H19 ABC8D19 -104.33 5.36 -9.25 2.29 0
5168 12698 1 O2C5H12 A2B5C12 -118.95 3.48 -10.16 2.32 0
5169 12699 1 C2O2N3H5 A2B2C3D5 -34.41 1.47 -10.14 -0.7 0
5170 12702 1 FO4C7H11 AB4C7D11 -229.52 2.39 -11.15 0.01 0
5171 12703 1 NOC6H13 ABC6D13 -67.91 4.25 -9.39 1.22 0
5172 12704 1 NS2C6H13 AB2C6D13 -0.19 4.23 -8.38 -0.09 0
5173 12705 1 AsClC4H10 ABC4D10 -29.35 3.38 -9.26 0.03 0
5174 12706 1 CN2O3H4 AB2C3D4 -63.71 2.48 -10.11 -0.36 0
5175 12707 1 NF3O3C6H6 AB3C3D6E6 -257.63 3.53 -10.67 -0.5 0
5176 12708 1 ClO2C5H7 AB2C5D7 -84.98 0.44 -10.42 -0.63 0
5177 12716 2 OC3H5 AB3C5 -86.84 1.73 -10.83 -0.22 0
5178 12717 1 NC3O4H5 AB3C4D5 -132.31 5.08 -10.72 -1.01 0
5179 12718 1 NSO2C4H5 ABC2D4E5 -49.1 3.54 -9.79 -0.95 0
5180 12720 4 CH AB 69.11 0.54 -10.03 0.24 0
5181 12721 7 CH2 AB2 -19.72 0.16 -9.5 1.5 0