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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380027 134964501 1 O3C16H18 A3B16C18 -14.48 1.65 -9.31 -0.09 0
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380028 134964506 4 C4H5 A4B5 6.5 0.98 -8.73 0.39 0
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380029 134964507 1 ClNOC15H18 ABCD15E18 -38.39 7.25 -8.95 0.04 0
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380030 134964509 1 NO3C14H25 AB3C14D25 -136.71 2.43 -9.1 0.66 1
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380031 134964510 1 PO2C11H14 AB2C11D14 -65.09 2.39 0.0 0.0 0
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380032 134964511 1 NPO3H6C7 ABC3D6E7 -99.39 0.48 -9.4 -0.53 1
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380033 134964512 1 NC11H22 AB11C22 -5.69 1.29 0.0 0.0 0
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380034 134964513 1 OC14H18 AB14C18 -12.41 2.99 -9.49 0.08 0
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380035 134964514 1 SN2H10C15 AB2C10D15 132.8 5.11 -9.05 -1.27 0
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380036 134964515 1 PO4C10H15 AB4C10D15 -193.74 5.53 -10.43 0.39 0
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380037 134964516 1 O3C14H16 A3B14C16 -106.57 4.95 -9.36 -0.79 0
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380038 134964518 1 NC13H15 AB13C15 33.84 1.61 -8.56 0.15 0
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380039 134964521 1 NO2C17H25 AB2C17D25 -105.44 4.82 -8.65 0.24 -5
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380040 134964522 1 RhC5H15 AB5C15 23.04 1.72 -9.51 -1.94 0
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380041 134964523 1 SO2F3N3H6C9 AB2C3D3E6F9 -133.17 4.1 -9.69 -1.85 0
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380042 134964524 1 NO2C15H17 AB2C15D17 -37.4 3.88 -9.8 -0.06 0
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380043 134964525 2 O2C7H8 A2B7C8 -136.17 0.17 -9.39 0.16 0
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380044 134964531 1 FNO2C13H18 ABC2D13E18 -140.38 2.43 -9.98 -0.46 0
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380045 134964532 1 NC11H13 AB11C13 56.08 2.19 -9.81 -0.15 0
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380046 134964533 1 C19H30 A19B30 -38.16 0.71 -9.26 0.46 0
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380047 134964538 1 N2O2C15H16 A2B2C15D16 58.76 2.36 -9.01 -0.34 0
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380048 134964540 1 ClO2C9H13 AB2C9D13 -74.29 1.07 -9.0 0.17 0
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380049 134964541 1 N2O3C15H30 A2B3C15D30 -182.05 2.68 -8.72 1.09 0
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380050 134964543 1 O3C13H24 A3B13C24 -165.9 0.73 -10.09 0.91 0
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380051 134964545 1 O3C13H24 A3B13C24 -165.0 3.1 -10.1 0.82 0
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380052 134964550 1 OSC17H18 ABC17D18 13.12 2.07 -8.35 -0.46 0
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380053 134964552 1 ClNC9H12 ABC9D12 15.43 4.63 -7.53 0.64 0
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380054 134964811 1 O3C13H18 A3B13C18 -128.3 2.96 -9.83 -0.58 0
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380055 134964814 1 O2C11H20 A2B11C20 -99.89 0.92 -9.77 1.26 0
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380057 134964820 2 OC7H7 AB7C7 -9.23 1.22 -9.31 0.27 0
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380058 134964821 1 SiO3C16H34 AB3C16D34 -214.09 3.02 -8.76 1.1 1
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380059 134964826 1 NO2C12H16 AB2C12D16 -75.91 2.77 0.0 0.0 0
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380060 134964828 2 N2O2C11H13 A2B2C11D13 -70.59 3.41 -9.45 -1.09 0
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380061 134964832 1 FO2H11C14 AB2C11D14 -81.8 3.11 -9.24 -0.25 0
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380062 134964835 1 OC18H26 AB18C26 -53.17 1.51 -9.32 0.4 0
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380063 134964837 1 NO3H13C15 AB3C13D15 -36.16 3.94 -8.4 -0.96 0
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380064 134964838 1 NO2C17H25 AB2C17D25 -110.04 2.9 -9.2 0.35 0
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380065 134964840 2 OC3H5 AB3C5 -68.36 2.94 -8.72 0.5 0
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380066 134964841 1 O3C13H16 A3B13C16 -95.94 4.25 -8.16 -0.14 0
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380067 134964868 1 BrOSi2C16H33 ABC2D16E33 -137.92 4.61 -8.57 0.02 0
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380068 134964870 1 OSC15H20 ABC15D20 -43.61 2.21 -8.73 0.06 0
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380069 134964872 1 OSiC14H20 ABC14D20 -32.94 3.62 -9.43 0.07 0
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380070 134964875 1 OC15H16 AB15C16 18.15 2.99 -9.07 -0.49 0
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380071 134964876 1 ClNOH12C16 ABCD12E16 42.39 5.66 -9.24 -0.65 0
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380072 134964879 1 NO2F3C14H14 AB2C3D14E14 -196.66 7.06 -9.81 -1.1 1
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380073 134964886 1 ClNO2C10H13 ABC2D10E13 -57.08 6.89 0.0 0.0 0
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380074 134964887 1 ON2S2H12C14 AB2C2D12E14 41.09 6.4 -8.22 -0.89 0
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380075 134964891 1 NO2C15H19 AB2C15D19 -51.33 5.19 -9.11 -0.16 0
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380076 134964893 1 NO2C14H15 AB2C14D15 -47.94 2.44 -8.87 -0.93 0
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380077 134964894 1 OH12C15 AB12C15 53.6 2.23 -9.69 0.01 0
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380078 134964896 1 OC14H22 AB14C22 -37.59 3.46 -9.8 0.87 0
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380079 134964900 1 ClO2H15C16 AB2C15D16 -29.7 2.07 -8.71 -0.12 0
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380080 134964901 1 NO4C15H17 AB4C15D17 -134.17 3.19 -9.77 -0.45 0
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380081 134964903 1 O3C16H20 A3B16C20 -94.18 3.31 -9.77 -0.05 0
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380082 134964904 1 NOC18H19 ABC18D19 2.63 4.39 -9.03 -0.27 0
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380083 134964906 1 NOCl2C9H13 ABC2D9E13 -80.75 4.03 -9.79 -0.06 0
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380084 134964907 1 BrOSiC7H15 ABCD7E15 -78.88 2.97 -9.77 -0.39 0
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380086 134964911 1 NO3H15C19 AB3C15D19 37.43 6.84 -9.33 -0.81 0
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380087 134964916 1 OC14H22 AB14C22 -51.89 3.56 -9.82 0.85 0
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380088 134964920 1 NC15H25 AB15C25 -11.13 1.87 -8.22 1.38 0
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380089 134964922 1 OH14C15 AB14C15 21.69 1.65 -9.54 0.05 0
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380090 134964924 1 O2C15H20 A2B15C20 -79.48 1.66 -9.41 0.38 0
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380091 134964940 1 N3C17H17 A3B17C17 95.97 4.61 -9.95 -0.22 0
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380092 134964945 1 SiO3C14H28 AB3C14D28 -177.77 1.51 -9.4 0.37 0
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380094 134964955 1 N2C17H20 A2B17C20 50.29 2.28 -8.64 0.16 0
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380095 134964959 1 N2O3C15H19 A2B3C15D19 -77.07 9.18 0.0 0.0 1
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380096 134964962 1 NC9H18 AB9C18 11.71 0.66 0.0 0.0 0
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380097 134964966 2 OH8C9 AB8C9 -10.63 1.84 -9.6 -0.53 0
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380098 134964970 1 SO2N3C10H11 AB2C3D10E11 0.75 4.32 -9.37 -0.83 0
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380099 134964980 2 OC8H11 AB8C11 -72.25 3.38 -9.37 0.32 0
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380100 134964981 1 NO4C15H21 AB4C15D21 -185.78 1.32 -9.51 -0.17 0
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380101 134964989 1 NOC12H15 ABC12D15 -14.57 3.36 -9.6 0.17 0
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380102 134964990 1 NOSi2C14H23 ABC2D14E23 -107.07 2.04 -7.91 0.45 0
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380103 134965005 1 O2C13H16 A2B13C16 -56.67 4.25 -9.58 -0.48 0
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380104 134965011 1 BrF3H10C14 AB3C10D14 -119.62 3.3 -9.7 -0.64 0