List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
14392 410684 1 O3C8H12 A3B8C12 -114.6 6.56 -10.55 0.33 0
14393 410685 1 NC15H17 AB15C17 17.11 1.4 -7.93 -0.13 0
14394 410687 1 ClH17C25 AB17C25 90.32 2.18 -9.02 -0.71 0
14395 410688 2 OH10C13 AB10C13 14.0 0.81 -8.98 -0.27 0
14396 410734 1 HgCl2O2H8C13 AB2C2D8E13 11.66 2.71 -9.78 -1.22 0
14397 410735 1 NSO4H13C20 ABC4D13E20 -65.29 4.14 -8.77 -1.28 0
14398 410773 1 NC13H19 AB13C19 5.87 1.61 -8.63 0.48 0
14399 410775 1 INC19H19 ABC19D19 74.12 3.21 0.0 0.0 1
14400 410786 1 NF3C11H15 AB3C11D15 -123.04 7.26 0.0 0.0 1
14401 410801 1 NC19H26 AB19C26 42.3 2.44 0.0 0.0 1
14402 410802 1 NC19H26 AB19C26 32.57 1.25 0.0 0.0 1
14403 410803 1 NC19H36 AB19C36 -1.32 0.31 0.0 0.0 1
14404 410811 1 ClNOC10H14 ABCD10E14 -2.18 3.16 -9.38 -0.87 0
14405 410813 1 NO3C7H13 AB3C7D13 -136.79 5.35 -9.6 0.89 0
14406 410823 1 NO3H15C17 AB3C15D17 -56.6 5.96 -9.24 -0.71 0
14407 410837 1 NOH21C22 ABC21D22 38.09 3.38 -9.08 -0.63 0
14408 410838 1 NSC21H23 ABC21D23 59.31 3.47 -8.0 0.09 0
14409 410839 1 NO2C21H21 AB2C21D21 -22.89 2.68 -8.81 0.07 0
14410 410840 1 NC21H21 AB21C21 67.36 1.67 -8.97 0.12 0
14411 410841 1 NO2C23H23 AB2C23D23 -13.4 0.88 -8.79 0.08 0
14412 410916 1 BrN3O3C20H24 AB3C3D20E24 -89.49 5.74 -8.63 -0.86 0
14413 410922 1 N3C25H27 A3B25C27 79.6 2.57 -8.17 -0.21 0
14414 410936 1 ClO5C18H18 AB5C18D18 -64.56 2.93 0.0 0.0 1
14415 410945 1 NO4C11H20 AB4C11D20 -150.68 1.16 0.0 0.0 1
14416 410946 1 ZnN4O4C34H36 AB4C4D34E36 39.01 7.61 -8.08 -1.16 -4
14417 410947 2 N2O2C17H20 A2B2C17D20 -89.68 4.58 -7.75 -0.95 0
14418 410951 1 SCl2H2N4C5 AB2C2D4E5 107.16 3.72 -10.15 -2.26 0
14419 410952 1 ClON7H8C11 ABC7D8E11 120.46 7.22 -9.34 -1.41 0
14420 411057 1 SN2C10H14 AB2C10D14 20.34 2.41 -9.02 -0.22 0
14421 411060 1 NO3C12H15 AB3C12D15 -109.08 6.19 -9.11 -0.1 0
14422 411062 1 PN3O4C12H30 AB3C4D12E30 -246.0 4.83 -8.48 0.92 0
14423 411073 1 NO2C22H25 AB2C22D25 -28.78 2.2 -8.87 -0.5 0
14424 411082 2 NC11H17 AB11C17 88.75 3.14 -3.57 -2.54 2
14425 411105 1 ON2C22H32 AB2C22D32 -13.48 1.43 -8.62 0.28 0
14426 411138 1 N2O3C24H30 A2B3C24D30 -64.32 3.44 -8.94 -0.48 0
14427 411141 2 NOC13H20 ABC13D20 -90.79 1.74 -8.34 0.32 0
14428 411163 1 ClNC18H22 ABC18D22 25.89 1.93 -8.95 0.16 0
14429 411268 1 NOS2C8H9 ABC2D8E9 11.3 1.83 -8.64 -0.47 0
14430 411293 1 NO2C16H17 AB2C16D17 -28.25 4.28 -9.39 -0.76 0
14431 411299 2 SN2C8H17 AB2C8D17 -23.41 1.84 -8.84 0.16 0
14432 411300 1 NO2H14C17 AB2C14D17 -0.34 6.77 0.0 0.0 1
14433 411301 1 NOH16C17 ABC16D17 23.97 1.7 0.0 0.0 1
14434 411302 1 NO3C17H19 AB3C17D19 -69.9 3.11 -8.9 -0.24 0
14435 411307 1 NOC17H21 ABC17D21 -11.74 1.21 -9.15 0.19 0
14436 411312 1 NO3C18H21 AB3C18D21 -77.75 3.05 -8.72 -0.09 0
14437 411340 1 NO2C22H31 AB2C22D31 -73.63 4.02 -8.78 0.06 0
14438 411352 1 OCl2N3C16H21 AB2C3D16E21 -17.7 3.12 -8.31 -0.57 0
14439 411381 1 SN6C7H10 AB6C7D10 122.16 9.33 -9.7 -1.76 0
14440 411413 1 NOC18H20 ABC18D20 33.18 5.09 0.0 0.0 1
14441 411432 1 NOC21H23 ABC21D23 13.5 2.94 -8.45 -0.52 0
14442 411526 1 C4N5H7 A4B5C7 64.16 2.98 -8.88 -0.56 0
14443 411557 1 NOH16C21 ABC16D21 58.6 4.46 0.0 0.0 1
14444 411628 1 NO2C18H20 AB2C18D20 3.29 4.13 0.0 0.0 1
14445 411635 1 ClNC19H22 ABC19D22 21.2 0.93 -8.66 0.01 0
14446 411657 1 NO2C22H23 AB2C22D23 -8.77 4.39 -8.14 0.03 0
14447 411658 1 O9C22H24 A9B22C24 -315.27 5.47 -8.7 -0.63 0
14448 411660 1 N2C23H34 A2B23C34 -4.26 1.16 -7.98 0.13 0
14449 411677 1 O2N3C19H29 A2B3C19D29 -88.37 5.54 -8.75 0.17 0
14450 411841 1 BrSO3C7H7 ABC3D7E7 -90.12 4.1 -9.93 -1.34 0
14451 411854 1 N3O3C16H35 A3B3C16D35 -106.37 6.11 -9.15 -0.3 0
14452 411933 1 NO3C21H27 AB3C21D27 -102.31 1.34 -8.79 0.05 0
14453 411950 1 N2O3C15H22 A2B3C15D22 -107.82 2.61 -8.88 -0.05 0
14454 411984 1 NOSH10C11 ABCD10E11 32.57 1.44 0.0 0.0 1
14455 412005 2 NC8H14 AB8C14 -8.31 3.28 -7.87 0.81 0
14456 412006 2 NC8H14 AB8C14 -2.7 2.41 -7.76 0.71 0
14457 412007 1 NOBr2H16C17 ABC2D16E17 12.87 7.48 0.0 0.0 1
14458 412009 1 BrNOC17H18 ABCD17E18 -9.91 7.54 -8.16 -0.69 0
14459 412010 1 ClNOC17H18 ABCD17E18 -11.86 7.2 -8.53 -0.62 0
14460 412027 1 NSO4C10H17 ABC4D10E17 -192.69 0.88 -9.22 -0.31 0
14461 412116 1 ClNO2S2H16C24 ABC2D2E16F24 27.49 3.13 -8.7 -1.54 0
14462 412126 1 ON5C8H11 AB5C8D11 44.51 6.46 -9.54 -1.08 0
14463 412127 1 ON5C7H9 AB5C7D9 53.7 6.2 -9.6 -1.15 0
14464 412134 1 ON3H21C24 AB3C21D24 85.38 1.5 -7.89 -0.98 0
14465 412145 1 OH15C21 AB15C21 58.43 0.82 0.0 0.0 1
14466 412173 1 SC5H5N5 AB5C5D5 141.61 6.75 -9.79 -2.21 0
14467 412203 1 ON2C19H24 AB2C19D24 3.63 4.36 -8.0 0.4 0
14469 412220 1 ON2C21H44 AB2C21D44 -109.47 3.04 -9.16 1.05 0
14470 412314 1 SN2O4C7H16 AB2C4D7E16 -167.04 3.81 -9.06 -0.34 0
14471 412405 1 N2O3C17H26 A2B3C17D26 -138.35 5.15 -9.09 -0.51 0
14472 412406 1 N2O3C18H28 A2B3C18D28 -141.5 6.53 -9.09 -0.53 0
14473 412407 1 ClN2O3C13H19 AB2C3D13E19 -129.95 1.01 -8.71 -1.04 0
14474 412484 1 ClN2O2C11H15 AB2C2D11E15 -77.26 2.57 -9.01 -0.35 0
14475 412523 1 N2O3C17H26 A2B3C17D26 -140.69 2.4 -9.18 -0.64 0
14476 412570 1 ClNO2C17H18 ABC2D17E18 -49.61 3.25 -9.12 -0.17 0
14477 412572 1 ClON2C18H25 ABC2D18E25 -4.22 0.66 -8.47 -0.48 0
14478 412584 2 N3C5H8 A3B5C8 111.45 9.36 -9.57 -1.67 0
14479 412744 1 N2O3C13H18 A2B3C13D18 -120.81 2.69 -9.0 -0.6 0
14480 412757 1 ClN2O2C13H17 AB2C2D13E17 -76.97 4.73 -8.77 -0.23 0
14481 412761 1 ClN2O3C17H27 AB2C3D17E27 -136.73 1.6 -8.73 -0.65 0
14482 412773 1 NOC16H27 ABC16D27 -61.03 2.57 -9.0 0.36 0
14483 412798 1 ClNC9H18 ABC9D18 -35.45 3.02 -8.8 0.91 0
14484 412855 1 ON2C12H19 AB2C12D19 -32.52 4.85 0.0 0.0 1
14485 412917 2 N2C9H12 A2B9C12 46.5 2.32 -8.32 -0.58 0
14486 412954 1 PN2O2C10H21 AB2C2D10E21 -120.48 2.82 -9.71 1.02 0
14487 413038 1 SO2N3C5H11 AB2C3D5E11 -74.85 1.03 -9.48 -0.28 0
14488 413051 1 NOC10H19 ABC10D19 -62.96 2.51 -8.75 0.77 0
14489 413114 1 N2C13H20 A2B13C20 23.15 2.07 -8.61 0.42 0
14490 413163 1 S2N6O12H20C25 A2B6C12D20E25 -156.91 5.72 -8.45 -2.78 0
14491 413263 1 OCl2N5H7C10 AB2C5D7E10 89.8 6.96 -9.98 -1.79 0
14492 413264 1 ClON5H8C10 ABC5D8E10 92.8 6.85 -9.88 -1.62 0