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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74952 |
48422751 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-144.1 |
2.2 |
-9.53 |
0.47 |
0 |
|
|
74953 |
48422752 |
1 |
NF2O4C21H23 |
AB2C4D21E23 |
-213.72 |
2.65 |
-8.76 |
-0.57 |
0 |
|
|
74954 |
48422753 |
1 |
N2O6C17H24 |
A2B6C17D24 |
-140.41 |
4.35 |
-9.18 |
-1.31 |
0 |
|
|
74955 |
48422754 |
1 |
SN2O4C17H26 |
AB2C4D17E26 |
-139.2 |
7.26 |
-9.2 |
-0.49 |
0 |
|
|
74956 |
48422755 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-66.06 |
5.04 |
-9.02 |
0.16 |
0 |
|
|
74957 |
48422756 |
1 |
ClO2N3C21H28 |
AB2C3D21E28 |
-35.91 |
6.02 |
-9.12 |
-0.41 |
0 |
|
|
74958 |
48422757 |
1 |
ClNO3C18H20 |
ABC3D18E20 |
-74.23 |
2.18 |
-8.93 |
-0.83 |
0 |
|
|
74959 |
48422759 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-177.34 |
1.48 |
-8.44 |
-0.11 |
0 |
|
|
74960 |
48422760 |
1 |
NO4C23H29 |
AB4C23D29 |
-111.62 |
5.04 |
-8.78 |
0.02 |
0 |
|
|
74961 |
48422761 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-37.44 |
3.69 |
-9.56 |
-1.01 |
0 |
|
|
74962 |
48422763 |
2 |
NO2C12H13 |
AB2C12D13 |
-112.11 |
4.56 |
-8.59 |
-0.62 |
0 |
|
|
74963 |
48422764 |
1 |
NO2C21H25 |
AB2C21D25 |
-29.41 |
4.81 |
-9.53 |
-0.09 |
0 |
|
|
74964 |
48422765 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-24.3 |
5.01 |
-8.88 |
-0.31 |
0 |
|
|
74965 |
48422766 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-80.82 |
1.67 |
-8.92 |
-0.18 |
0 |
|
|
74966 |
48422767 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-165.21 |
4.0 |
-9.04 |
-0.05 |
0 |
|
|
74967 |
48422768 |
1 |
FSN2O4C18H25 |
ABC2D4E18F25 |
-174.16 |
3.57 |
-9.48 |
-0.89 |
0 |
|
|
74968 |
48422770 |
1 |
N2O5C23H30 |
A2B5C23D30 |
-174.91 |
2.58 |
-8.24 |
0.04 |
0 |
|
|
74969 |
48422771 |
1 |
NO4C19H29 |
AB4C19D29 |
-141.64 |
4.9 |
-8.21 |
0.24 |
0 |
|
|
74970 |
48422772 |
1 |
NO4C23H29 |
AB4C23D29 |
-99.16 |
4.0 |
-8.46 |
-0.1 |
0 |
|
|
74971 |
48422773 |
1 |
NO4C17H25 |
AB4C17D25 |
-136.76 |
6.44 |
-8.49 |
-0.24 |
0 |
|
|
74972 |
48422774 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-139.77 |
3.82 |
-9.62 |
0.69 |
0 |
|
|
74973 |
48422775 |
1 |
BrNO2S2C14H20 |
ABC2D2E14F20 |
-47.97 |
1.17 |
-8.95 |
-0.65 |
0 |
|
|
74974 |
48422776 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-4.14 |
4.97 |
-9.5 |
-0.88 |
0 |
|
|
74975 |
48422777 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-174.13 |
3.93 |
-9.65 |
-0.01 |
0 |
|
|
74976 |
48422778 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-166.88 |
2.03 |
-9.3 |
0.04 |
0 |
|
|
74977 |
48422779 |
1 |
NO3C13H23 |
AB3C13D23 |
-131.74 |
1.55 |
-9.28 |
0.53 |
0 |
|
|
74978 |
48422780 |
1 |
NO2C19H27 |
AB2C19D27 |
-83.17 |
4.18 |
-9.03 |
0.29 |
0 |
|
|
74979 |
48422782 |
1 |
NO3C19H27 |
AB3C19D27 |
-103.18 |
5.97 |
-8.94 |
0.03 |
0 |
|
|
74980 |
48422810 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-118.84 |
3.09 |
-9.22 |
0.72 |
0 |
|
|
74981 |
48422811 |
2 |
NO2C9H10 |
AB2C9D10 |
-96.52 |
1.88 |
-9.49 |
-0.1 |
0 |
|
|
74982 |
48422813 |
1 |
SN2O5C17H26 |
AB2C5D17E26 |
-177.77 |
7.73 |
-8.9 |
-0.66 |
0 |
|
|
74983 |
48422815 |
1 |
NO4C19H25 |
AB4C19D25 |
-124.19 |
2.55 |
-8.64 |
-0.32 |
0 |
|
|
74984 |
48422818 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-152.32 |
3.71 |
-8.75 |
-0.24 |
0 |
|
|
74985 |
48422819 |
1 |
ClNO4C15H18 |
ABC4D15E18 |
-145.28 |
5.81 |
-9.04 |
-0.81 |
0 |
|
|
74986 |
48422821 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-147.14 |
6.05 |
-8.37 |
-0.16 |
0 |
|
|
74987 |
48422823 |
1 |
NO3C18H23 |
AB3C18D23 |
-71.77 |
4.12 |
-9.11 |
-0.42 |
0 |
|
|
74988 |
48422824 |
1 |
NO2C15H27 |
AB2C15D27 |
-109.71 |
3.35 |
-9.67 |
1.07 |
0 |
|
|
74989 |
48422825 |
1 |
FN3O4C21H22 |
AB3C4D21E22 |
-156.79 |
4.09 |
-8.98 |
-0.4 |
0 |
|
|
74990 |
48422826 |
1 |
FN2O3C17H21 |
AB2C3D17E21 |
-129.84 |
3.41 |
-8.77 |
-0.26 |
0 |
|
|
74991 |
48422827 |
1 |
SN3O5C18H21 |
AB3C5D18E21 |
-175.32 |
5.97 |
-8.9 |
-0.23 |
0 |
|
|
74992 |
48422829 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-74.49 |
2.08 |
-8.94 |
-0.5 |
0 |
|
|
74993 |
48422832 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-160.76 |
1.97 |
-8.8 |
-0.12 |
0 |
|
|
74994 |
48422833 |
1 |
NO4C16H21 |
AB4C16D21 |
-125.89 |
3.11 |
-8.91 |
-0.25 |
0 |
|
|
74995 |
48422835 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-114.78 |
7.63 |
-8.83 |
-0.22 |
0 |
|
|
74996 |
48422836 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-83.83 |
6.54 |
-8.66 |
0.03 |
0 |
|
|
74997 |
48422837 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-11.22 |
1.07 |
-9.55 |
-0.32 |
0 |
|
|
74998 |
48422838 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-70.83 |
1.69 |
-9.49 |
0.29 |
0 |
|
|
74999 |
48422840 |
1 |
N3O4C19H19 |
A3B4C19D19 |
-90.49 |
7.89 |
-8.63 |
-0.3 |
0 |
|
|
75000 |
48422842 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-161.21 |
1.51 |
-9.39 |
-0.15 |
0 |
|
|
75001 |
48422843 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-126.13 |
1.83 |
-9.37 |
-0.16 |
0 |
|
|
75002 |
48422844 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-138.6 |
1.72 |
-9.38 |
0.14 |
0 |
|
|
75003 |
48422845 |
1 |
NF3O3C15H18 |
AB3C3D15E18 |
-246.29 |
6.09 |
-8.72 |
-0.25 |
0 |
|
|
75004 |
48422846 |
1 |
N3O5C22H27 |
A3B5C22D27 |
-167.64 |
2.84 |
-8.93 |
-0.02 |
0 |
|
|
75005 |
48422847 |
2 |
NO2C9H13 |
AB2C9D13 |
-133.45 |
2.54 |
-8.9 |
0.2 |
0 |
|
|
75006 |
48422849 |
1 |
FN2O4C16H21 |
AB2C4D16E21 |
-158.51 |
5.74 |
-9.46 |
-0.35 |
0 |
|
|
75007 |
48422850 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-97.61 |
2.44 |
-8.59 |
-0.11 |
0 |
|
|
75008 |
48422851 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-64.14 |
1.8 |
-8.69 |
-0.22 |
0 |
|
|
75009 |
48422853 |
1 |
NF3O3C15H18 |
AB3C3D15E18 |
-257.82 |
5.68 |
-9.74 |
-0.37 |
0 |
|
|
75010 |
48422854 |
1 |
NO3C19H27 |
AB3C19D27 |
-101.18 |
3.88 |
-9.16 |
0.26 |
0 |
|
|
75011 |
48422855 |
1 |
N3O6C20H21 |
A3B6C20D21 |
-177.17 |
3.83 |
-9.16 |
-0.6 |
0 |
|
|
75012 |
48422858 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-143.88 |
3.6 |
-9.07 |
-0.57 |
0 |
|
|
75013 |
48422859 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-103.9 |
9.48 |
-9.33 |
-0.03 |
0 |
|
|
75014 |
48422860 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-139.54 |
5.33 |
-9.07 |
-0.42 |
0 |
|
|
75015 |
48422861 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-103.92 |
6.86 |
-9.02 |
-0.34 |
0 |
|
|
75016 |
48422862 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-92.94 |
2.32 |
-9.46 |
-0.25 |
0 |
|
|
75017 |
48422863 |
2 |
NO2C8H11 |
AB2C8D11 |
-60.81 |
8.37 |
-9.64 |
-1.42 |
0 |
|
|
75018 |
48422865 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-73.39 |
3.24 |
-9.28 |
-0.92 |
0 |
|
|
75019 |
48422866 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-93.06 |
2.53 |
-9.36 |
-0.99 |
0 |
|
|
75020 |
48422867 |
1 |
NO4C16H23 |
AB4C16D23 |
-137.64 |
4.38 |
-7.95 |
0.16 |
0 |
|
|
75021 |
48422868 |
1 |
ClNO4C15H20 |
ABC4D15E20 |
-139.13 |
7.46 |
-8.12 |
-0.05 |
0 |
|
|
75022 |
48422869 |
1 |
ClFN2O3H16C17 |
ABC2D3E16F17 |
-144.87 |
6.61 |
-9.08 |
-0.5 |
0 |
|
|
75023 |
48422870 |
2 |
NO2C10H12 |
AB2C10D12 |
-101.33 |
1.96 |
-8.79 |
-0.66 |
0 |
|
|
75024 |
48422872 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-171.0 |
2.2 |
-9.44 |
0.17 |
0 |
|
|
75025 |
48422873 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-137.07 |
2.34 |
-9.26 |
0.63 |
0 |
|
|
75026 |
48422874 |
1 |
SN2O6C19H28 |
AB2C6D19E28 |
-219.11 |
8.18 |
-8.89 |
-0.7 |
0 |
|
|
75027 |
48422876 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-129.92 |
1.56 |
-9.36 |
-0.36 |
0 |
|
|
75028 |
48422877 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-97.01 |
2.87 |
-9.46 |
-0.42 |
0 |
|
|
75029 |
48422878 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-157.7 |
7.63 |
-9.23 |
-0.31 |
0 |
|
|
75030 |
48422888 |
1 |
NF3O3C15H18 |
AB3C3D15E18 |
-249.07 |
1.8 |
-8.73 |
-0.19 |
0 |
|
|
75031 |
48422889 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-154.1 |
8.69 |
-8.74 |
-0.23 |
0 |
|
|
75032 |
48422890 |
1 |
NO3C18H25 |
AB3C18D25 |
-98.55 |
2.72 |
-8.74 |
0.26 |
0 |
|
|
75033 |
48422891 |
1 |
NO2C17H23 |
AB2C17D23 |
-53.85 |
4.52 |
-9.24 |
0.27 |
0 |
|
|
75034 |
48422892 |
1 |
NO2C14H25 |
AB2C14D25 |
-96.5 |
2.37 |
-9.28 |
0.88 |
0 |
|
|
75035 |
48422893 |
1 |
NSO2C18H21 |
ABC2D18E21 |
-24.23 |
2.84 |
-9.18 |
-0.34 |
0 |
|
|
75036 |
48422894 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-32.95 |
3.65 |
-9.05 |
-0.14 |
0 |
|
|
75037 |
48422895 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-38.11 |
3.61 |
-9.06 |
-0.16 |
0 |
|
|
75038 |
48422896 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-129.38 |
2.81 |
-9.36 |
-0.6 |
0 |
|
|
75039 |
48422908 |
1 |
SN3O5C18H21 |
AB3C5D18E21 |
-173.03 |
5.41 |
-8.4 |
-0.2 |
0 |
|
|
75040 |
48422909 |
1 |
SN2O4C14H20 |
AB2C4D14E20 |
-136.83 |
6.13 |
-8.37 |
-0.02 |
0 |
|
|
75041 |
48422910 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-49.68 |
3.25 |
-8.98 |
-0.51 |
0 |
|
|
75042 |
48422911 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-13.71 |
1.96 |
-8.93 |
-0.48 |
0 |
|
|
75043 |
48422912 |
1 |
BrSN2O3C17H19 |
ABC2D3E17F19 |
-84.99 |
1.93 |
-9.4 |
-0.47 |
0 |
|
|
75044 |
48422913 |
1 |
BrNSO2C13H18 |
ABCD2E13F18 |
-50.23 |
1.89 |
-9.45 |
-0.51 |
0 |
|
|
75045 |
48422915 |
1 |
O2N5C17H21 |
A2B5C17D21 |
48.98 |
4.26 |
-9.36 |
-0.92 |
0 |
|
|
75046 |
48422916 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-161.11 |
4.29 |
-9.41 |
0.33 |
0 |
|
|
75047 |
48422917 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-128.87 |
4.4 |
-9.55 |
0.82 |
0 |
|
|
75048 |
48422918 |
1 |
N3O5H21C22 |
A3B5C21D22 |
-134.94 |
6.19 |
-8.72 |
-0.69 |
0 |
|
|
75049 |
48422920 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-94.54 |
3.34 |
-8.78 |
0.12 |
0 |
|
|
75050 |
48422921 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-95.28 |
4.11 |
-8.93 |
0.09 |
0 |
|
|
75051 |
48422922 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-102.92 |
3.63 |
-8.76 |
0.09 |
0 |