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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75752 |
48423936 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-58.16 |
3.16 |
-8.32 |
0.17 |
0 |
|
|
75753 |
48423937 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-123.74 |
2.79 |
-8.56 |
0.54 |
0 |
|
|
75754 |
48423938 |
1 |
N3O5C18H25 |
A3B5C18D25 |
-211.28 |
5.59 |
-9.5 |
0.2 |
0 |
|
|
75755 |
48423939 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-105.6 |
3.5 |
-9.47 |
0.57 |
0 |
|
|
75756 |
48423940 |
1 |
FN2O5C21H23 |
AB2C5D21E23 |
-221.8 |
5.47 |
-9.48 |
-0.71 |
0 |
|
|
75757 |
48423941 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-143.97 |
5.18 |
-9.14 |
-0.4 |
0 |
|
|
75758 |
48423942 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-163.33 |
5.48 |
-8.76 |
0.04 |
0 |
|
|
75759 |
48423944 |
1 |
NO3C16H23 |
AB3C16D23 |
-71.78 |
4.17 |
-9.08 |
0.35 |
0 |
|
|
75760 |
48423945 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-88.33 |
6.15 |
-9.21 |
-0.13 |
0 |
|
|
75761 |
48423947 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-130.18 |
4.28 |
-8.96 |
0.02 |
0 |
|
|
75762 |
48423948 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-132.47 |
3.67 |
-8.95 |
-0.02 |
0 |
|
|
75763 |
48423950 |
1 |
NO3C17H25 |
AB3C17D25 |
-109.13 |
4.34 |
-8.97 |
0.05 |
0 |
|
|
75764 |
48423951 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-49.5 |
1.13 |
-8.98 |
-0.73 |
0 |
|
|
75765 |
48423952 |
1 |
NO4C20H31 |
AB4C20D31 |
-155.09 |
5.3 |
-8.31 |
0.19 |
0 |
|
|
75766 |
48423953 |
1 |
NO4C21H33 |
AB4C21D33 |
-163.75 |
2.73 |
-8.26 |
0.3 |
0 |
|
|
75767 |
48423954 |
1 |
NSO2C18H23 |
ABC2D18E23 |
-58.93 |
1.9 |
-8.52 |
-0.46 |
0 |
|
|
75768 |
48423956 |
1 |
NO3C20H29 |
AB3C20D29 |
-115.12 |
4.84 |
-8.66 |
0.28 |
0 |
|
|
75769 |
48423957 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-33.84 |
6.72 |
-8.86 |
-0.3 |
0 |
|
|
75770 |
48423958 |
1 |
NO2C19H23 |
AB2C19D23 |
-31.46 |
4.88 |
-9.11 |
-0.76 |
0 |
|
|
75771 |
48423959 |
1 |
NF3O3C16H20 |
AB3C3D16E20 |
-257.21 |
3.86 |
-9.47 |
-0.68 |
0 |
|
|
75772 |
48423960 |
1 |
NF3O3C16H20 |
AB3C3D16E20 |
-254.93 |
2.27 |
-9.71 |
-0.55 |
0 |
|
|
75773 |
48423961 |
1 |
NO2C16H23 |
AB2C16D23 |
-57.28 |
4.4 |
-9.14 |
0.39 |
0 |
|
|
75774 |
48423962 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-167.24 |
1.66 |
-8.13 |
-0.11 |
0 |
|
|
75775 |
48423965 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-135.17 |
2.98 |
-9.72 |
-0.45 |
0 |
|
|
75776 |
48423967 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-143.45 |
3.48 |
-8.86 |
0.08 |
0 |
|
|
75777 |
48423968 |
2 |
ON2C9H12 |
AB2C9D12 |
-17.45 |
3.32 |
-8.97 |
-0.68 |
0 |
|
|
75778 |
48423969 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-105.9 |
4.8 |
-8.77 |
0.15 |
0 |
|
|
75779 |
48423970 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-173.45 |
2.21 |
-8.99 |
-0.05 |
0 |
|
|
75780 |
48423972 |
3 |
FNOC6H8 |
ABCD6E8 |
-283.89 |
6.18 |
-9.42 |
-0.12 |
0 |
|
|
75781 |
48423973 |
1 |
N2O2F3C14H23 |
A2B2C3D14E23 |
-250.04 |
3.41 |
-9.5 |
0.84 |
0 |
|
|
75782 |
48423974 |
3 |
NOC6H9 |
ABC6D9 |
-123.99 |
3.17 |
-8.93 |
0.29 |
0 |
|
|
75783 |
48423975 |
2 |
NOC7H13 |
ABC7D13 |
-90.72 |
4.64 |
-8.66 |
1.09 |
0 |
|
|
75784 |
48423976 |
1 |
FO2N4C23H29 |
AB2C4D23E29 |
-66.43 |
3.45 |
-8.35 |
-0.19 |
0 |
|
|
75785 |
48423977 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-81.45 |
5.69 |
-8.44 |
-0.45 |
0 |
|
|
75786 |
48423978 |
2 |
NO2C12H15 |
AB2C12D15 |
-147.22 |
3.54 |
-9.22 |
0.18 |
0 |
|
|
75787 |
48423980 |
1 |
NO4C16H29 |
AB4C16D29 |
-202.06 |
1.62 |
-9.72 |
0.84 |
0 |
|
|
75788 |
48423981 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-140.81 |
4.06 |
-9.46 |
0.93 |
0 |
|
|
75789 |
48423982 |
1 |
FNO3C16H22 |
ABC3D16E22 |
-149.23 |
2.32 |
-8.95 |
-0.29 |
0 |
|
|
75790 |
48423983 |
1 |
N2O5C20H30 |
A2B5C20D30 |
-236.8 |
2.98 |
-9.59 |
0.14 |
0 |
|
|
75791 |
48423984 |
1 |
N2F3O3C19H25 |
A2B3C3D19E25 |
-258.78 |
1.6 |
-8.65 |
-0.52 |
0 |
|
|
75792 |
48423985 |
2 |
NO2C10H12 |
AB2C10D12 |
-95.93 |
4.63 |
-8.64 |
-0.22 |
0 |
|
|
75793 |
48423986 |
1 |
FN2O3C21H23 |
AB2C3D21E23 |
-120.07 |
6.21 |
-9.19 |
-0.5 |
0 |
|
|
75794 |
48423987 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-176.17 |
4.83 |
-9.34 |
0.08 |
0 |
|
|
75795 |
48423989 |
1 |
N2F3O4C20H21 |
A2B3C4D20E21 |
-293.1 |
4.62 |
-9.7 |
-0.55 |
0 |
|
|
75796 |
48423992 |
1 |
SN2F3O3C13H19 |
AB2C3D3E13F19 |
-276.75 |
1.98 |
-9.06 |
-0.11 |
0 |
|
|
75797 |
48423995 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-94.03 |
2.06 |
-9.42 |
0.15 |
0 |
|
|
75798 |
48423996 |
1 |
NO3C21H25 |
AB3C21D25 |
-68.51 |
4.26 |
-8.99 |
-0.28 |
0 |
|
|
75799 |
48423998 |
1 |
FNO3C15H20 |
ABC3D15E20 |
-142.86 |
6.25 |
-8.66 |
-0.16 |
0 |
|
|
75800 |
48423999 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-128.93 |
6.83 |
-8.85 |
0.22 |
0 |
|
|
75801 |
48424001 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-144.06 |
1.59 |
-9.34 |
0.74 |
0 |
|
|
75802 |
48424002 |
1 |
NO3C18H27 |
AB3C18D27 |
-110.73 |
3.45 |
-9.51 |
0.03 |
0 |
|
|
75803 |
48424004 |
1 |
NO3F4C17H21 |
AB3C4D17E21 |
-302.9 |
4.9 |
-9.1 |
-0.24 |
0 |
|
|
75804 |
48424005 |
2 |
NO2C11H14 |
AB2C11D14 |
-144.99 |
3.98 |
-9.54 |
-0.11 |
0 |
|
|
75805 |
48424006 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-21.84 |
6.94 |
-9.38 |
0.34 |
0 |
|
|
75806 |
48424007 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-6.61 |
3.58 |
-8.99 |
-0.29 |
0 |
|
|
75807 |
48424008 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-172.1 |
3.98 |
-8.59 |
-0.1 |
0 |
|
|
75808 |
48424009 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-70.51 |
2.09 |
-8.98 |
-0.62 |
0 |
|
|
75809 |
48424010 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-30.73 |
2.89 |
-8.32 |
0.12 |
0 |
|
|
75810 |
48424011 |
1 |
O4N5C16H19 |
A4B5C16D19 |
-110.0 |
4.94 |
-8.87 |
-0.15 |
0 |
|
|
75811 |
48424012 |
1 |
SO2N3C19H31 |
AB2C3D19E31 |
-60.01 |
4.13 |
-8.83 |
-0.35 |
0 |
|
|
75812 |
48424013 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-67.41 |
5.1 |
-9.69 |
0.26 |
0 |
|
|
75813 |
48424014 |
1 |
NO3C17H25 |
AB3C17D25 |
-100.79 |
4.57 |
-8.97 |
-0.03 |
0 |
|
|
75814 |
48424015 |
1 |
NO4C18H27 |
AB4C18D27 |
-141.34 |
3.99 |
-8.87 |
0.03 |
0 |
|
|
75815 |
48424016 |
1 |
O3N4C12H18 |
A3B4C12D18 |
-75.67 |
4.57 |
-8.85 |
0.18 |
0 |
|
|
75816 |
48424018 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-149.44 |
4.41 |
-8.91 |
0.06 |
0 |
|
|
75817 |
48424019 |
1 |
O2N3C17H33 |
A2B3C17D33 |
-86.88 |
1.24 |
-8.63 |
1.03 |
0 |
|
|
75818 |
48424020 |
2 |
NO2C9H13 |
AB2C9D13 |
-133.13 |
6.53 |
-9.21 |
-0.12 |
0 |
|
|
75819 |
48424021 |
1 |
NF2O4C17H23 |
AB2C4D17E23 |
-248.4 |
5.36 |
-8.9 |
-0.13 |
0 |
|
|
75820 |
48424022 |
1 |
NO4C17H25 |
AB4C17D25 |
-136.35 |
5.46 |
-8.78 |
0.09 |
0 |
|
|
75821 |
48424023 |
1 |
FNO2C18H24 |
ABC2D18E24 |
-114.08 |
2.95 |
-9.31 |
0.02 |
0 |
|
|
75822 |
48424024 |
1 |
NO2C18H27 |
AB2C18D27 |
-65.09 |
4.28 |
-9.2 |
0.49 |
0 |
|
|
75823 |
48424026 |
1 |
ClFNO2C18H23 |
ABCD2E18F23 |
-117.1 |
3.75 |
-9.1 |
-0.42 |
0 |
|
|
75824 |
48424028 |
1 |
N3O5C22H27 |
A3B5C22D27 |
-168.31 |
4.72 |
-8.79 |
0.14 |
0 |
|
|
75825 |
48424030 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-102.66 |
2.96 |
-9.31 |
0.18 |
0 |
|
|
75826 |
48424031 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-148.65 |
3.56 |
-8.76 |
0.15 |
0 |
|
|
75827 |
48424033 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-162.59 |
3.8 |
-8.8 |
0.19 |
0 |
|
|
75828 |
48424034 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-133.32 |
4.09 |
-9.08 |
1.03 |
0 |
|
|
75829 |
48424035 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-148.92 |
4.17 |
-9.35 |
-0.62 |
0 |
|
|
75830 |
48424037 |
1 |
NO4C19H23 |
AB4C19D23 |
-104.04 |
2.83 |
-8.77 |
0.08 |
0 |
|
|
75831 |
48424038 |
1 |
NO3C18H25 |
AB3C18D25 |
-105.64 |
4.19 |
-8.69 |
-0.06 |
0 |
|
|
75832 |
48424039 |
1 |
ClN2O4C19H21 |
AB2C4D19E21 |
-138.93 |
4.11 |
-8.55 |
-0.32 |
0 |
|
|
75833 |
48424043 |
1 |
N2O3C18H32 |
A2B3C18D32 |
-154.13 |
2.0 |
-9.38 |
0.81 |
0 |
|
|
75834 |
48424045 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-136.55 |
3.33 |
-9.63 |
1.1 |
0 |
|
|
75835 |
48424046 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-216.44 |
5.97 |
-9.55 |
-0.54 |
0 |
|
|
75836 |
48424047 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-92.42 |
4.04 |
-8.2 |
0.19 |
0 |
|
|
75837 |
48424048 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-132.72 |
3.3 |
-8.86 |
0.06 |
0 |
|
|
75838 |
48424049 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-99.27 |
2.88 |
-8.83 |
0.18 |
0 |
|
|
75839 |
48424050 |
2 |
NO2C11H12 |
AB2C11D12 |
-120.49 |
2.43 |
-9.08 |
-0.44 |
0 |
|
|
75840 |
48424051 |
1 |
NO3C18H23 |
AB3C18D23 |
-88.77 |
1.82 |
-8.88 |
-0.3 |
0 |
|
|
75841 |
48424054 |
1 |
O3N6C21H28 |
A3B6C21D28 |
-67.43 |
2.34 |
-8.85 |
-0.18 |
0 |
|
|
75842 |
48424056 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-215.65 |
6.98 |
-9.17 |
0.02 |
0 |
|
|
75843 |
48424058 |
1 |
NO2F3C18H22 |
AB2C3D18E22 |
-189.55 |
5.73 |
-9.62 |
-0.59 |
0 |
|
|
75844 |
48424059 |
1 |
NO2C18H25 |
AB2C18D25 |
-41.46 |
3.61 |
-9.28 |
0.23 |
0 |
|
|
75845 |
48424060 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-111.68 |
2.57 |
-9.23 |
0.11 |
0 |
|
|
75846 |
48424061 |
1 |
NO2C16H23 |
AB2C16D23 |
-76.07 |
2.91 |
-9.06 |
0.32 |
0 |
|
|
75847 |
48424062 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-204.81 |
7.65 |
-9.01 |
-0.11 |
0 |
|
|
75848 |
48424063 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-172.88 |
2.64 |
-9.33 |
0.38 |
0 |
|
|
75849 |
48424064 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-253.29 |
4.99 |
-9.63 |
-0.63 |
0 |
|
|
75850 |
48424067 |
1 |
NF3O5C18H22 |
AB3C5D18E22 |
-352.46 |
6.58 |
-9.62 |
-0.29 |
0 |
|
|
75851 |
48424068 |
1 |
NO5C17H25 |
AB5C17D25 |
-167.92 |
3.92 |
-8.83 |
-0.1 |
0 |