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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74852 |
48422589 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-140.01 |
1.25 |
-9.11 |
0.62 |
0 |
|
|
74853 |
48422590 |
1 |
NO4C24H29 |
AB4C24D29 |
-106.78 |
4.26 |
-8.35 |
0.1 |
0 |
|
|
74854 |
48422593 |
1 |
N2O3C22H22 |
A2B3C22D22 |
-65.81 |
1.95 |
-8.73 |
-0.54 |
0 |
|
|
74855 |
48422594 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-151.54 |
3.84 |
-9.37 |
0.04 |
0 |
|
|
74856 |
48422595 |
1 |
NO2C17H23 |
AB2C17D23 |
-31.43 |
4.06 |
-9.39 |
0.2 |
0 |
|
|
74857 |
48422596 |
1 |
NO2C13H25 |
AB2C13D25 |
-107.53 |
3.22 |
-9.61 |
1.09 |
0 |
|
|
74858 |
48422601 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-21.96 |
5.12 |
-9.17 |
-0.54 |
0 |
|
|
74859 |
48422602 |
1 |
NO3C17H23 |
AB3C17D23 |
-97.37 |
4.09 |
-8.2 |
0.28 |
0 |
|
|
74860 |
48422604 |
1 |
SN2O4C14H26 |
AB2C4D14E26 |
-178.35 |
6.62 |
-9.71 |
0.41 |
0 |
|
|
74861 |
48422605 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-138.16 |
6.75 |
-8.12 |
-0.11 |
0 |
|
|
74862 |
48422608 |
1 |
NO4C13H25 |
AB4C13D25 |
-168.03 |
4.13 |
-9.08 |
0.97 |
0 |
|
|
74863 |
48422610 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-127.43 |
3.79 |
-9.14 |
-0.68 |
0 |
|
|
74864 |
48422612 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-105.18 |
2.43 |
-8.1 |
0.03 |
0 |
|
|
74865 |
48422613 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-179.64 |
1.5 |
-9.65 |
0.04 |
0 |
|
|
74866 |
48422615 |
1 |
ClFSN2O4C17H22 |
ABCD2E4F17G22 |
-177.86 |
2.9 |
-9.37 |
-1.24 |
0 |
|
|
74867 |
48422616 |
1 |
NSO2C16H23 |
ABC2D16E23 |
-60.49 |
2.91 |
-8.86 |
-0.08 |
0 |
|
|
74868 |
48422617 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-134.05 |
5.25 |
-9.41 |
0.9 |
0 |
|
|
74869 |
48422618 |
1 |
N2O5C17H26 |
A2B5C17D26 |
-202.75 |
0.78 |
-9.36 |
0.37 |
0 |
|
|
74870 |
48422619 |
1 |
SN2O4C19H28 |
AB2C4D19E28 |
-141.66 |
4.64 |
-9.24 |
-0.68 |
0 |
|
|
74871 |
48422623 |
1 |
NO2C16H23 |
AB2C16D23 |
-73.49 |
3.09 |
-8.57 |
0.16 |
0 |
|
|
74872 |
48422625 |
1 |
ClN2O4C18H25 |
AB2C4D18E25 |
-140.6 |
1.25 |
-8.87 |
-0.09 |
0 |
|
|
74873 |
48422627 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-161.92 |
3.12 |
-8.7 |
-0.04 |
0 |
|
|
74874 |
48422628 |
1 |
N2F3O4H17C18 |
A2B3C4D17E18 |
-289.31 |
4.03 |
-9.3 |
-0.7 |
0 |
|
|
74875 |
48422629 |
1 |
NF3O3C14H16 |
AB3C3D14E16 |
-257.37 |
6.68 |
-9.03 |
-0.49 |
0 |
|
|
74876 |
48422630 |
1 |
NO2C16H27 |
AB2C16D27 |
-94.14 |
3.23 |
-9.64 |
1.13 |
0 |
|
|
74877 |
48422631 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-165.16 |
6.06 |
-9.21 |
-0.54 |
0 |
|
|
74878 |
48422632 |
1 |
SN2O4C15H22 |
AB2C4D15E22 |
-128.6 |
9.61 |
-9.25 |
-0.66 |
0 |
|
|
74879 |
48422633 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-151.27 |
1.11 |
-8.85 |
-0.26 |
0 |
|
|
74880 |
48422634 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-124.52 |
7.04 |
-8.18 |
-0.14 |
0 |
|
|
74881 |
48422636 |
1 |
F2N2O5C20H22 |
A2B2C5D20E22 |
-274.64 |
1.21 |
-9.17 |
-0.57 |
0 |
|
|
74882 |
48422638 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-100.67 |
5.92 |
-8.22 |
-0.03 |
0 |
|
|
74883 |
48422641 |
1 |
SF2N2O4C17H22 |
AB2C2D4E17F22 |
-223.53 |
3.14 |
-9.23 |
-1.15 |
0 |
|
|
74884 |
48422642 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-172.28 |
4.19 |
-9.62 |
0.1 |
0 |
|
|
74885 |
48422644 |
1 |
NO4C16H21 |
AB4C16D21 |
-128.8 |
2.71 |
-8.71 |
-0.04 |
0 |
|
|
74886 |
48422645 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-185.34 |
6.21 |
-8.36 |
-0.24 |
0 |
|
|
74887 |
48422648 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-146.97 |
4.62 |
-9.07 |
-0.24 |
0 |
|
|
74888 |
48422649 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-91.8 |
3.03 |
-9.44 |
0.09 |
0 |
|
|
74889 |
48422650 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-138.74 |
2.97 |
-9.57 |
0.15 |
0 |
|
|
74890 |
48422651 |
1 |
NSO2C14H19 |
ABC2D14E19 |
-54.42 |
4.0 |
-8.48 |
-0.31 |
0 |
|
|
74891 |
48422653 |
1 |
SF2N2O4C17H22 |
AB2C2D4E17F22 |
-219.47 |
3.55 |
-9.31 |
-1.29 |
0 |
|
|
74892 |
48422654 |
1 |
SN3O5C16H25 |
AB3C5D16E25 |
-154.28 |
3.82 |
-9.27 |
-0.53 |
0 |
|
|
74893 |
48422656 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-229.74 |
5.91 |
-9.23 |
-0.66 |
0 |
|
|
74894 |
48422657 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-172.83 |
3.28 |
-8.74 |
-0.04 |
0 |
|
|
74895 |
48422658 |
1 |
NO4C19H29 |
AB4C19D29 |
-145.28 |
5.53 |
-8.24 |
0.28 |
0 |
|
|
74896 |
48422660 |
1 |
ClNO4C15H20 |
ABC4D15E20 |
-139.09 |
3.23 |
-8.3 |
-0.3 |
0 |
|
|
74897 |
48422661 |
1 |
FN3O4C20H22 |
AB3C4D20E22 |
-175.26 |
7.28 |
-9.21 |
-0.29 |
0 |
|
|
74898 |
48422664 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-166.83 |
2.94 |
-8.73 |
-0.37 |
0 |
|
|
74899 |
48422666 |
1 |
FSN2O3C20H23 |
ABC2D3E20F23 |
-146.24 |
3.19 |
-8.89 |
-0.47 |
0 |
|
|
74900 |
48422667 |
1 |
FNSO2C16H22 |
ABCD2E16F22 |
-108.97 |
2.02 |
-8.9 |
-0.5 |
0 |
|
|
74901 |
48422668 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-94.09 |
3.53 |
-9.19 |
-0.7 |
0 |
|
|
74902 |
48422671 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-80.86 |
4.58 |
-9.13 |
-0.36 |
0 |
|
|
74903 |
48422672 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-101.8 |
1.78 |
-9.52 |
0.14 |
0 |
|
|
74904 |
48422678 |
1 |
NO2C14H19 |
AB2C14D19 |
-56.95 |
3.18 |
-9.53 |
0.1 |
0 |
|
|
74905 |
48422679 |
1 |
NO2C13H23 |
AB2C13D23 |
-103.17 |
3.25 |
-9.63 |
1.13 |
0 |
|
|
74906 |
48422680 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-97.74 |
3.08 |
-9.34 |
0.09 |
0 |
|
|
74907 |
48422682 |
1 |
N2F3O4H17C18 |
A2B3C4D17E18 |
-295.03 |
5.35 |
-9.2 |
-0.49 |
0 |
|
|
74908 |
48422683 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-103.82 |
2.44 |
-9.09 |
-0.39 |
0 |
|
|
74909 |
48422684 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-121.91 |
3.25 |
-8.92 |
-0.35 |
0 |
|
|
74910 |
48422685 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-107.95 |
4.78 |
-9.02 |
-0.28 |
0 |
|
|
74911 |
48422686 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-147.63 |
2.87 |
-8.78 |
-0.06 |
0 |
|
|
74912 |
48422687 |
1 |
F2N2O3C19H20 |
A2B2C3D19E20 |
-182.62 |
3.38 |
-9.59 |
-0.4 |
0 |
|
|
74913 |
48422689 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-53.56 |
2.58 |
-8.47 |
0.73 |
0 |
|
|
74914 |
48422690 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-89.3 |
3.51 |
-8.62 |
-0.43 |
0 |
|
|
74915 |
48422692 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-112.38 |
4.44 |
-8.78 |
0.02 |
0 |
|
|
74916 |
48422693 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-143.41 |
1.73 |
-8.74 |
-0.16 |
0 |
|
|
74917 |
48422694 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-105.45 |
3.37 |
-8.77 |
-0.08 |
0 |
|
|
74918 |
48422695 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-141.55 |
3.13 |
-8.97 |
-0.24 |
0 |
|
|
74919 |
48422696 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-108.68 |
1.52 |
-8.88 |
-0.14 |
0 |
|
|
74920 |
48422697 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-105.0 |
2.4 |
-8.59 |
0.05 |
0 |
|
|
74921 |
48422698 |
1 |
NO3C18H25 |
AB3C18D25 |
-96.44 |
3.75 |
-8.62 |
0.34 |
0 |
|
|
74922 |
48422701 |
1 |
BrNO2C13H16 |
ABC2D13E16 |
-51.56 |
5.86 |
-9.06 |
-0.26 |
0 |
|
|
74923 |
48422702 |
2 |
NO2C9H10 |
AB2C9D10 |
-131.28 |
1.57 |
-8.73 |
-0.2 |
0 |
|
|
74924 |
48422703 |
1 |
NO4C20H27 |
AB4C20D27 |
-134.29 |
1.76 |
-8.58 |
0.28 |
0 |
|
|
74925 |
48422704 |
1 |
FNO3C17H24 |
ABC3D17E24 |
-142.15 |
4.88 |
-9.0 |
-0.23 |
0 |
|
|
74926 |
48422705 |
1 |
NO2C13H17 |
AB2C13D17 |
-54.39 |
2.97 |
-8.82 |
0.04 |
0 |
|
|
74927 |
48422706 |
1 |
NO2C14H19 |
AB2C14D19 |
-48.44 |
3.08 |
-8.78 |
0.16 |
0 |
|
|
74928 |
48422707 |
1 |
NO2C14H19 |
AB2C14D19 |
-63.4 |
2.05 |
-8.85 |
0.13 |
0 |
|
|
74929 |
48422708 |
1 |
NO2C14H19 |
AB2C14D19 |
-62.95 |
3.65 |
-8.65 |
0.13 |
0 |
|
|
74930 |
48422709 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-89.3 |
3.63 |
-8.8 |
-0.14 |
0 |
|
|
74931 |
48422710 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-80.3 |
2.69 |
-9.03 |
0.06 |
0 |
|
|
74932 |
48422711 |
1 |
BrN2O3C17H17 |
AB2C3D17E17 |
-87.76 |
4.31 |
-8.96 |
-0.46 |
0 |
|
|
74933 |
48422712 |
1 |
BrN2O3C17H17 |
AB2C3D17E17 |
-85.17 |
5.43 |
-9.21 |
-0.4 |
0 |
|
|
74934 |
48422713 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-98.43 |
1.39 |
-8.92 |
-0.06 |
0 |
|
|
74935 |
48422721 |
1 |
NO5C21H29 |
AB5C21D29 |
-167.08 |
7.35 |
-8.67 |
0.21 |
0 |
|
|
74936 |
48422722 |
2 |
NO2C8H11 |
AB2C8D11 |
-122.57 |
1.95 |
-9.18 |
0.08 |
0 |
|
|
74937 |
48422724 |
1 |
NO3C14H19 |
AB3C14D19 |
-92.7 |
3.81 |
-8.44 |
0.05 |
0 |
|
|
74938 |
48422725 |
1 |
NO2C15H21 |
AB2C15D21 |
-68.84 |
1.43 |
-8.71 |
0.22 |
0 |
|
|
74939 |
48422726 |
1 |
SN2O4C17H26 |
AB2C4D17E26 |
-155.76 |
6.85 |
-9.19 |
-0.56 |
0 |
|
|
74940 |
48422727 |
1 |
N3O5C20H23 |
A3B5C20D23 |
-173.05 |
3.88 |
-8.48 |
-0.28 |
0 |
|
|
74941 |
48422729 |
1 |
BrNSO2C13H18 |
ABCD2E13F18 |
-40.95 |
2.69 |
-9.37 |
-0.56 |
0 |
|
|
74942 |
48422730 |
1 |
NO2C19H21 |
AB2C19D21 |
-25.8 |
4.16 |
-8.87 |
-0.13 |
0 |
|
|
74943 |
48422731 |
1 |
N2O5C18H26 |
A2B5C18D26 |
-161.78 |
4.0 |
-8.54 |
-0.11 |
0 |
|
|
74944 |
48422732 |
2 |
NO2C8H11 |
AB2C8D11 |
-131.68 |
6.86 |
-8.39 |
-0.13 |
0 |
|
|
74945 |
48422735 |
1 |
NSO2C16H21 |
ABC2D16E21 |
-36.81 |
2.04 |
-8.21 |
-0.19 |
0 |
|
|
74946 |
48422739 |
1 |
NSO2C15H21 |
ABC2D15E21 |
-58.1 |
2.92 |
-9.03 |
-0.11 |
0 |
|
|
74947 |
48422740 |
2 |
NO3C10H12 |
AB3C10D12 |
-201.04 |
3.31 |
-8.5 |
-0.24 |
0 |
|
|
74948 |
48422743 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-161.79 |
0.66 |
-8.8 |
-0.07 |
0 |
|
|
74949 |
48422744 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-127.45 |
1.87 |
-8.87 |
0.04 |
0 |
|
|
74950 |
48422746 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-176.48 |
1.62 |
-8.56 |
-0.15 |
0 |
|
|
74951 |
48422747 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-133.07 |
2.6 |
-9.14 |
-0.01 |
0 |