List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
6609 69225 1 NSH5C6O6 ABC5D6E6 -148.21 7.75 -10.91 -1.84 0
6610 69226 2 O2H3C4 A2B3C4 -132.58 5.07 -10.41 -1.34 0
6611 69227 1 SN2O5C6H6 AB2C5D6E6 -114.02 6.43 -10.14 -1.56 0
6612 69231 2 OH6C7 AB6C7 -35.16 3.01 -9.14 -0.78 0
6613 69232 1 ON2C15H16 AB2C15D16 -8.57 4.76 -8.57 0.02 0
6614 69235 1 ClNO2C5H12 ABC2D5E12 -141.21 5.33 -10.71 0.34 0
6615 69236 1 NO2C5H11 AB2C5D11 -103.29 2.7 -9.89 0.79 0
6616 69242 1 AsC6H15 AB6C15 -2.04 0.73 -8.55 2.13 0
6617 69246 1 NSO3C7H9 ABC3D7E9 -110.32 5.93 -9.0 -0.7 0
6618 69249 1 Br2H6C7 A2B6C7 26.01 2.06 -9.78 -1.02 0
6619 69252 1 OCl2H4C7 AB2C4D7 -29.8 3.69 -10.17 -1.51 0
6620 69254 1 ClNOH6C7 ABCD6E7 -27.76 4.54 -9.88 -0.68 0
6621 69255 1 N2O6H8C9 A2B6C8D9 -72.54 4.73 -11.71 -2.3 0
6622 69260 1 NO4H7C8 AB4C7D8 -64.48 3.06 -11.0 -1.69 0
6623 69269 2 NOC4H5 ABC4D5 18.23 6.83 -8.78 -1.18 0
6624 69271 2 OC9H18 AB9C18 -175.17 2.17 -10.5 0.69 0
6625 69273 1 IO2H7C8 AB2C7D8 -43.65 1.66 -9.76 -1.19 0
6626 69275 1 NO3C7H7 AB3C7D7 -29.66 4.79 -10.6 -1.48 0
6627 69277 1 NOC10H13 ABC10D13 -38.18 4.46 -9.71 -0.24 0
6628 69287 2 O3C9H16 A3B9C16 -325.72 3.59 -10.77 0.66 0
6629 69288 2 NOH6C7 ABC6D7 -28.1 0.06 -9.16 -0.88 0
6630 69291 1 C15H16 A15B16 27.88 0.62 -9.0 0.4 0
6631 69296 1 ON2H8C9 AB2C8D9 9.38 2.29 -9.2 -0.28 0
6632 69297 1 NOC14H15 ABC14D15 32.6 1.1 -9.32 0.25 0
6633 69298 1 N2O2H14C15 A2B2C14D15 -41.71 3.58 -8.86 -0.34 0
6634 69306 2 OC4H5 AB4C5 -71.19 0.58 -8.86 0.3 0
6635 69308 1 NO3C8H9 AB3C8D9 -27.79 7.08 -9.53 -1.35 0
6636 69313 1 O2C9H10 A2B9C10 -56.15 2.4 -9.14 0.04 0
6637 69333 1 NOC7H9 ABC7D9 -0.42 1.22 -8.72 0.24 0
6638 69354 1 O3C6H10 A3B6C10 -142.53 2.46 -10.39 0.54 0
6639 69355 1 O3C7H16 A3B7C16 -155.95 2.74 -10.05 1.33 0
6640 69356 1 INC2H2 ABC2D2 42.23 3.33 -10.48 -1.9 0
6641 69359 1 ClSC2O3H5 ABC2D3E5 -132.75 3.62 -11.84 -1.8 0
6642 69361 1 NOC6H13 ABC6D13 -66.6 4.08 -9.41 0.69 0
6643 69362 1 O3C5H10 A3B5C10 -161.64 6.16 -10.82 0.85 0
6644 69364 1 OCl2C3H4 AB2C3D4 -67.39 1.38 -11.18 -0.58 0
6645 69366 1 ClO2C3H5 AB2C3D5 -104.45 2.84 -10.94 0.08 0
6646 69367 1 NO2C4H9 AB2C4D9 -33.52 4.46 -11.07 -0.43 0
6647 69370 2 SC3H3 AB3C3 25.95 1.84 -8.8 -0.45 0
6648 69371 1 NO2C5H5 AB2C5D5 -67.34 3.14 -9.23 -0.46 0
6649 69374 2 OC4H5 AB4C5 -72.33 2.23 -9.76 -0.13 0
6650 69376 1 O3C14H26 A3B14C26 -186.73 4.31 -10.72 0.18 0
6651 69382 2 NSO2C4H8 ABC2D4E8 -186.91 8.68 -9.26 -1.35 0
6652 69390 1 IOC3H7 ABC3D7 -44.22 1.79 -9.84 -0.85 0
6653 69402 6 CH AB 98.49 0.0 -10.74 1.39 0
6654 69413 1 N3C4H5 A3B4C5 63.92 2.86 -10.48 0.33 0
6655 69414 1 NOC8H17 ABC8D17 -83.55 3.9 -10.44 1.16 0
6656 69416 2 NSC2H2 ABC2D2 75.17 1.61 -9.76 -0.91 0
6657 69419 1 NOC7H15 ABC7D15 -31.38 1.24 -9.97 0.77 0
6658 69420 2 OC4H9 AB4C9 -122.16 3.52 -10.22 2.8 0
6659 69424 1 NC16H31 AB16C31 -46.15 3.74 -10.62 1.37 0
6660 69428 1 PCl3O4H12C18 AB3C4D12E18 -169.78 0.74 -9.39 -0.52 0
6661 69429 1 PSO3C21H21 ABC3D21E21 -140.84 1.31 -9.23 -0.28 0
6662 69435 1 NO3C4H9 AB3C4D9 -141.47 5.14 -9.87 0.43 0
6663 69439 1 Cl4H4I4O5C20 A4B4C4D5E20 -71.48 5.3 -9.47 -1.87 0
6664 69440 2 O3H4C7 A3B4C7 -174.31 0.03 -9.15 -1.59 0
6665 69441 1 O3I4C8 A3B4C8 6.14 5.13 -9.25 -2.44 0
6666 69443 1 O6C13H14 A6B13C14 -249.34 3.28 -9.53 -0.36 0
6667 69451 1 NO2C6H7 AB2C6D7 -66.82 2.66 -9.13 0.01 0
6668 69452 2 OC4H5 AB4C5 -82.22 1.83 -8.74 0.22 0
6669 69454 1 O8C15H24 A8B15C24 -377.94 6.1 -10.71 0.07 0
6670 69456 6 C3H5 A3B5 -49.04 0.07 -8.65 0.76 0
6671 69461 1 O5H8C9 A5B8C9 -186.76 6.73 -10.02 -1.27 0
6672 69462 1 NO3H7C12 AB3C7D12 -34.3 5.08 -9.25 -1.91 0
6673 69467 1 OSC5H6 ABC5D6 -18.83 1.78 -9.3 -0.43 0
6674 69469 1 SO5H6C7 AB5C6D7 -178.86 0.98 -11.01 -1.65 0
6675 69470 1 O2C7H10 A2B7C10 -88.43 5.43 -10.36 -0.01 0
6676 69471 1 NO4C7H7 AB4C7D7 -63.13 7.83 -9.44 -1.38 0
6677 69498 1 NSO2Cl3H8C12 ABC2D3E8F12 -47.71 2.67 -9.58 -1.36 0
6678 69518 2 NOC8H8 ABC8D8 -36.51 5.46 -9.53 -0.53 0
6679 69521 3 OC2H2 AB2C2 -97.04 4.35 -9.43 -0.61 0
6680 69522 1 NO2C8H17 AB2C8D17 -118.45 5.26 -10.38 0.75 0
6681 69549 2 HF2O2C4 AB2C2D4 -302.45 0.15 -11.21 -2.71 0
6682 69568 1 ClN2O2C6H15 AB2C2D6E15 -142.88 7.26 -10.35 0.73 0
6683 69578 1 HC3F3 AB3C3 -103.75 2.89 -12.6 0.18 0
6684 69602 1 ON3C7H11 AB3C7D11 -26.9 1.82 -9.32 0.57 0
6685 69604 1 AlFC8H18 ABC8D18 -156.42 2.41 -9.83 2.21 0
6686 69606 1 O3C11H20 A3B11C20 -171.23 6.4 -10.43 0.33 0
6688 69609 1 OPC3H9 ABC3D9 -95.63 5.22 -10.11 2.65 0
6689 69611 1 CPCl2O2H3 ABC2D2E3 -165.01 2.51 -11.73 -0.76 0
6690 69612 1 FSC2O2H3 ABC2D2E3 -112.28 5.49 -11.99 -0.74 0
6691 69614 1 SC2O3F4 AB2C3D4 -298.41 1.18 -12.37 -1.78 0
6692 69616 1 F2H2O2C3Cl4 A2B2C2D3E4 -227.21 1.81 -11.44 -1.08 0
6693 69617 1 H2O2C3F6 A2B2C3D6 -405.27 2.5 -12.58 -0.25 0
6694 69618 1 IC11F23 AB11C23 -1113.76 1.42 -11.05 -2.78 0
6695 69619 1 OH5C10F17 AB5C10D17 -896.31 2.03 -11.24 -0.64 0
6696 69621 1 Cl2O2C5F6 A2B2C5D6 -374.8 0.77 -11.98 -1.58 0
6697 69623 1 BrC3H3F4 AB3C3D4 -208.88 1.1 -11.01 -0.84 0
6698 69624 1 C3H3F5 A3B3C5 -257.54 1.87 -13.0 1.26 0
6699 69625 1 OC4F4H4 AB4C4D4 -234.34 1.8 -10.42 0.18 0
6700 69627 1 SiO4C12H28 AB4C12D28 -316.78 0.26 -9.9 0.56 0
6701 69633 1 ClNOC2H4 ABCD2E4 -15.23 1.8 -10.0 -0.03 0
6702 69634 1 HNO3C4F6 ABC3D4E6 -381.02 2.4 -11.49 -1.89 0
6703 69637 1 BrO4C7H11 AB4C7D11 -182.0 3.42 -10.98 -1.29 0
6704 69638 1 NCl3C6H10 AB3C6D10 -20.67 3.43 -8.83 -0.08 0
6705 69639 1 ClPC4H10 ABC4D10 -57.38 2.5 -9.26 0.95 0
6706 69643 1 Cl3O3C9H17 A3B3C9D17 -178.24 2.36 -10.3 0.39 0
6707 69644 1 O2C11H24 A2B11C24 -137.27 0.48 -10.02 2.07 0
6708 69645 1 OPC2Cl3H4 ABC2D3E4 -126.26 3.09 -11.08 -0.7 0
6709 69649 8 CH2 AB2 -24.14 0.09 -9.54 1.46 0