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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75652 |
48423800 |
1 |
NCl2O2C16H21 |
AB2C2D16E21 |
-73.85 |
4.85 |
-9.42 |
-0.62 |
0 |
|
|
75653 |
48423801 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-46.76 |
2.51 |
-8.63 |
-0.76 |
0 |
|
|
75654 |
48423802 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-133.35 |
2.21 |
-8.7 |
0.06 |
0 |
|
|
75655 |
48423805 |
1 |
NO2C15H21 |
AB2C15D21 |
-58.15 |
1.74 |
-9.08 |
0.0 |
0 |
|
|
75656 |
48423806 |
1 |
NO4C17H23 |
AB4C17D23 |
-147.06 |
2.78 |
-9.57 |
-0.03 |
0 |
|
|
75657 |
48423807 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-14.93 |
3.52 |
-8.53 |
-0.67 |
0 |
|
|
75658 |
48423808 |
1 |
O2N3C21H33 |
A2B3C21D33 |
-61.33 |
3.4 |
-8.34 |
0.13 |
0 |
|
|
75659 |
48423809 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-50.77 |
5.35 |
-9.34 |
-0.46 |
0 |
|
|
75660 |
48423810 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-18.47 |
1.85 |
-9.08 |
-0.24 |
0 |
|
|
75661 |
48423813 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-45.8 |
6.62 |
-9.26 |
-0.57 |
0 |
|
|
75662 |
48423814 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-6.4 |
8.14 |
-9.12 |
-0.56 |
0 |
|
|
75663 |
48423815 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-146.51 |
4.42 |
-8.6 |
-0.08 |
0 |
|
|
75664 |
48423816 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-153.88 |
2.9 |
-9.72 |
-0.52 |
0 |
|
|
75665 |
48423817 |
1 |
N2F3O3C19H23 |
A2B3C3D19E23 |
-251.97 |
3.64 |
-9.38 |
-0.93 |
0 |
|
|
75666 |
48423818 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-95.06 |
3.72 |
-8.44 |
0.02 |
0 |
|
|
75667 |
48423819 |
1 |
SF2N2O3C18H18 |
AB2C2D3E18F18 |
-191.96 |
2.96 |
-9.2 |
-0.75 |
0 |
|
|
75668 |
48423821 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-113.17 |
3.99 |
-8.56 |
0.03 |
0 |
|
|
75669 |
48423822 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-118.83 |
6.04 |
-9.64 |
-0.29 |
0 |
|
|
75670 |
48423823 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-57.69 |
4.83 |
-8.47 |
0.0 |
0 |
|
|
75671 |
48423824 |
1 |
NO3C22H27 |
AB3C22D27 |
-76.32 |
2.8 |
-8.77 |
0.11 |
0 |
|
|
75672 |
48423825 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-104.91 |
2.94 |
-9.24 |
-0.1 |
0 |
|
|
75673 |
48423829 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-126.07 |
2.83 |
-8.54 |
-0.05 |
0 |
|
|
75674 |
48423830 |
1 |
SN2O2C17H30 |
AB2C2D17E30 |
-88.89 |
3.97 |
-8.45 |
0.86 |
0 |
|
|
75675 |
48423831 |
1 |
SN3O5C17H27 |
AB3C5D17E27 |
-209.87 |
6.62 |
-9.61 |
0.05 |
0 |
|
|
75676 |
48423833 |
2 |
NO2C11H14 |
AB2C11D14 |
-148.56 |
4.58 |
-9.05 |
-0.07 |
0 |
|
|
75677 |
48423835 |
1 |
ClSN2O3C17H19 |
ABC2D3E17F19 |
-95.96 |
3.87 |
-9.27 |
-0.39 |
0 |
|
|
75678 |
48423836 |
1 |
ClNSO2C13H18 |
ABCD2E13F18 |
-60.83 |
3.3 |
-9.27 |
-0.4 |
0 |
|
|
75679 |
48423837 |
1 |
O4N5C21H27 |
A4B5C21D27 |
-123.29 |
4.25 |
-9.48 |
0.06 |
0 |
|
|
75680 |
48423838 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-82.79 |
5.61 |
-9.4 |
-0.04 |
0 |
|
|
75681 |
48423840 |
2 |
NO2C11H14 |
AB2C11D14 |
-155.56 |
3.99 |
-8.66 |
0.17 |
0 |
|
|
75682 |
48423842 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-59.07 |
3.98 |
-9.72 |
-0.86 |
0 |
|
|
75683 |
48423843 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-96.99 |
3.28 |
-9.27 |
-0.33 |
0 |
|
|
75684 |
48423844 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-63.13 |
3.68 |
-9.17 |
-0.18 |
0 |
|
|
75685 |
48423847 |
3 |
NOC7H11 |
ABC7D11 |
-137.69 |
3.14 |
-8.66 |
0.22 |
0 |
|
|
75686 |
48423848 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-97.53 |
4.3 |
-8.66 |
0.88 |
0 |
|
|
75687 |
48423849 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-157.77 |
2.18 |
-8.84 |
-0.07 |
0 |
|
|
75688 |
48423850 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-154.71 |
3.61 |
-9.47 |
0.18 |
0 |
|
|
75689 |
48423851 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-120.29 |
3.35 |
-9.44 |
0.68 |
0 |
|
|
75690 |
48423853 |
1 |
ClO3N4C21H27 |
AB3C4D21E27 |
-33.65 |
3.1 |
-9.19 |
-0.92 |
0 |
|
|
75691 |
48423854 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-121.19 |
3.11 |
-8.92 |
0.0 |
0 |
|
|
75692 |
48423855 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-154.34 |
6.8 |
-9.52 |
-0.24 |
0 |
|
|
75693 |
48423859 |
2 |
NO2C11H14 |
AB2C11D14 |
-145.71 |
4.17 |
-9.41 |
-0.15 |
0 |
|
|
75694 |
48423862 |
3 |
NOC6H7 |
ABC6D7 |
-89.64 |
3.28 |
-9.48 |
-0.22 |
0 |
|
|
75695 |
48423863 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-118.94 |
5.56 |
-9.8 |
-0.39 |
0 |
|
|
75696 |
48423864 |
1 |
N2F3O4C20H21 |
A2B3C4D20E21 |
-300.61 |
4.93 |
-9.46 |
-0.25 |
0 |
|
|
75697 |
48423865 |
2 |
NO2C10H12 |
AB2C10D12 |
-144.32 |
4.01 |
-8.2 |
-0.02 |
0 |
|
|
75698 |
48423866 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-115.12 |
2.02 |
-8.74 |
-0.01 |
0 |
|
|
75699 |
48423867 |
1 |
NSO2C11H19 |
ABC2D11E19 |
-79.97 |
2.52 |
-8.74 |
0.51 |
0 |
|
|
75700 |
48423869 |
1 |
NO3C16H23 |
AB3C16D23 |
-108.31 |
1.74 |
-8.22 |
0.14 |
0 |
|
|
75701 |
48423871 |
1 |
ClFNO2C13H15 |
ABCD2E13F15 |
-111.0 |
5.88 |
-9.02 |
-0.51 |
0 |
|
|
75702 |
48423872 |
2 |
NO2C7H12 |
AB2C7D12 |
-159.51 |
3.52 |
-9.35 |
0.43 |
0 |
|
|
75703 |
48423873 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-168.44 |
2.25 |
-9.26 |
-0.44 |
0 |
|
|
75704 |
48423874 |
2 |
NO2C9H12 |
AB2C9D12 |
-135.93 |
4.3 |
-9.14 |
-0.3 |
0 |
|
|
75705 |
48423875 |
1 |
NO3C19H29 |
AB3C19D29 |
-119.8 |
4.26 |
-8.73 |
0.14 |
0 |
|
|
75706 |
48423876 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-154.14 |
5.38 |
-8.84 |
-0.41 |
0 |
|
|
75707 |
48423877 |
1 |
Cl2N2O3C18H22 |
A2B2C3D18E22 |
-97.16 |
7.13 |
-9.51 |
-0.99 |
0 |
|
|
75708 |
48423878 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-119.52 |
2.21 |
-8.81 |
0.12 |
0 |
|
|
75709 |
48423879 |
1 |
NO3C19H25 |
AB3C19D25 |
-81.57 |
4.76 |
-8.8 |
0.14 |
0 |
|
|
75710 |
48423883 |
1 |
NO3C18H27 |
AB3C18D27 |
-114.68 |
2.94 |
-8.58 |
0.27 |
0 |
|
|
75711 |
48423884 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-164.24 |
4.29 |
-9.47 |
-0.17 |
0 |
|
|
75712 |
48423885 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-129.69 |
2.81 |
-9.34 |
0.9 |
0 |
|
|
75713 |
48423886 |
1 |
ClN2O3C18H23 |
AB2C3D18E23 |
-99.52 |
2.32 |
-9.23 |
-0.58 |
0 |
|
|
75714 |
48423887 |
1 |
N2O5C18H26 |
A2B5C18D26 |
-224.6 |
5.38 |
-9.41 |
0.29 |
0 |
|
|
75715 |
48423889 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-144.92 |
4.73 |
-9.22 |
0.81 |
0 |
|
|
75716 |
48423890 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-155.9 |
4.1 |
-9.49 |
-0.01 |
0 |
|
|
75717 |
48423892 |
1 |
N3O4C19H19 |
A3B4C19D19 |
-92.93 |
3.67 |
-9.12 |
-0.35 |
0 |
|
|
75718 |
48423894 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-73.1 |
11.49 |
-9.25 |
-0.67 |
0 |
|
|
75719 |
48423895 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-56.01 |
4.51 |
-9.27 |
-0.32 |
0 |
|
|
75720 |
48423896 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-22.66 |
3.05 |
-9.27 |
-0.25 |
0 |
|
|
75721 |
48423897 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-38.24 |
2.54 |
-9.68 |
-0.25 |
0 |
|
|
75722 |
48423898 |
1 |
O2N4C17H22 |
A2B4C17D22 |
1.31 |
5.42 |
-9.85 |
-0.46 |
0 |
|
|
75723 |
48423899 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-107.07 |
2.9 |
-9.29 |
-0.24 |
0 |
|
|
75724 |
48423900 |
1 |
NO3C13H23 |
AB3C13D23 |
-96.26 |
4.22 |
-9.54 |
0.83 |
0 |
|
|
75725 |
48423901 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-138.26 |
5.01 |
-9.37 |
0.82 |
0 |
|
|
75726 |
48423902 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-175.5 |
2.44 |
-9.27 |
0.16 |
0 |
|
|
75727 |
48423903 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-140.28 |
2.42 |
-9.19 |
0.64 |
0 |
|
|
75728 |
48423904 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-141.66 |
2.95 |
-8.64 |
0.07 |
0 |
|
|
75729 |
48423905 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-108.19 |
3.12 |
-8.61 |
0.29 |
0 |
|
|
75730 |
48423906 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-171.71 |
3.99 |
-9.32 |
0.29 |
0 |
|
|
75731 |
48423907 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-161.05 |
4.27 |
-9.4 |
0.17 |
0 |
|
|
75732 |
48423908 |
1 |
ClNSO2C18H20 |
ABCD2E18F20 |
-34.67 |
3.86 |
-9.25 |
-0.36 |
0 |
|
|
75733 |
48423909 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-126.52 |
2.04 |
-9.68 |
0.43 |
0 |
|
|
75734 |
48423912 |
1 |
N2O3C15H28 |
A2B3C15D28 |
-142.49 |
2.92 |
-9.55 |
0.7 |
0 |
|
|
75735 |
48423913 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-145.07 |
2.1 |
-8.68 |
0.1 |
0 |
|
|
75736 |
48423914 |
1 |
NO3C17H25 |
AB3C17D25 |
-108.79 |
4.41 |
-8.9 |
0.07 |
0 |
|
|
75737 |
48423915 |
1 |
NO2C17H25 |
AB2C17D25 |
-61.72 |
4.77 |
-9.35 |
0.08 |
0 |
|
|
75738 |
48423918 |
1 |
NO4C15H25 |
AB4C15D25 |
-183.82 |
3.04 |
-9.62 |
1.07 |
0 |
|
|
75739 |
48423919 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-129.87 |
3.08 |
-9.28 |
-0.7 |
0 |
|
|
75740 |
48423920 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-220.61 |
3.82 |
-9.4 |
0.14 |
0 |
|
|
75741 |
48423921 |
1 |
NO3C11H21 |
AB3C11D21 |
-129.85 |
3.42 |
-9.66 |
1.09 |
0 |
|
|
75742 |
48423923 |
1 |
NCl2O2C15H19 |
AB2C2D15E19 |
-76.79 |
4.6 |
-9.62 |
-0.52 |
0 |
|
|
75743 |
48423927 |
1 |
Cl2N2O3C19H20 |
A2B2C3D19E20 |
-112.52 |
2.52 |
-9.51 |
-0.5 |
0 |
|
|
75744 |
48423928 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-153.28 |
6.58 |
-9.38 |
-0.2 |
0 |
|
|
75745 |
48423929 |
1 |
N3O4C16H25 |
A3B4C16D25 |
-134.64 |
2.42 |
-9.4 |
-0.31 |
0 |
|
|
75746 |
48423930 |
1 |
NSO2C14H21 |
ABC2D14E21 |
-52.06 |
3.93 |
-8.95 |
-0.05 |
0 |
|
|
75747 |
48423931 |
1 |
NO4C17H25 |
AB4C17D25 |
-141.24 |
2.28 |
-8.38 |
0.13 |
0 |
|
|
75748 |
48423932 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-108.5 |
1.04 |
-8.84 |
0.1 |
0 |
|
|
75749 |
48423933 |
2 |
NOC10H15 |
ABC10D15 |
-70.39 |
4.12 |
-8.83 |
0.42 |
0 |
|
|
75750 |
48423934 |
1 |
BrSN2O3C16H17 |
ABC2D3E16F17 |
-83.73 |
3.02 |
-9.21 |
-0.59 |
0 |
|
|
75751 |
48423935 |
1 |
BrNSO2C12H16 |
ABCD2E12F16 |
-47.22 |
2.71 |
-9.29 |
-0.68 |
0 |