List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
6710 |
69651 |
2 |
O2C5H9 |
A2B5C9 |
-211.07 |
3.1 |
-10.29 |
0.19 |
0 |
|
|
6711 |
69653 |
1 |
NOC5H9 |
ABC5D9 |
-39.36 |
3.78 |
-9.87 |
0.73 |
0 |
|
|
6712 |
69659 |
1 |
NO2C7H15 |
AB2C7D15 |
-44.65 |
4.53 |
-11.04 |
-0.42 |
0 |
|
|
6713 |
69660 |
2 |
O2C6H11 |
A2B6C11 |
-221.86 |
5.17 |
-10.88 |
0.64 |
0 |
|
|
6714 |
69663 |
1 |
NOC4H5 |
ABC4D5 |
-11.32 |
1.48 |
-9.81 |
0.1 |
0 |
|
|
6715 |
69665 |
1 |
PO2C4H7 |
AB2C4D7 |
-119.94 |
4.13 |
-10.44 |
0.27 |
0 |
|
|
6716 |
69667 |
8 |
CH |
AB |
43.44 |
0.66 |
-9.19 |
0.48 |
0 |
|
|
6717 |
69668 |
1 |
O2C7H10 |
A2B7C10 |
-73.3 |
1.04 |
-9.84 |
0.71 |
0 |
|
|
6718 |
69675 |
1 |
NC8H11 |
AB8C11 |
11.82 |
1.7 |
-8.2 |
0.65 |
0 |
|
|
6719 |
69679 |
1 |
ClN2F3C4 |
AB2C3D4 |
-88.86 |
1.8 |
-10.73 |
-1.88 |
0 |
|
|
6720 |
69692 |
1 |
O3C8H8 |
A3B8C8 |
-89.01 |
4.86 |
-9.3 |
-0.46 |
0 |
|
|
6721 |
69693 |
1 |
Cl3H5C8 |
A3B5C8 |
17.64 |
1.79 |
-9.66 |
-0.46 |
0 |
|
|
6722 |
69696 |
1 |
BrNSO2C6H6 |
ABCD2E6F6 |
-47.16 |
3.49 |
-10.3 |
-1.02 |
0 |
|
|
6723 |
69705 |
1 |
O2C9H12 |
A2B9C12 |
-71.59 |
3.37 |
-8.8 |
0.09 |
0 |
|
|
6724 |
69715 |
3 |
NOC2H3 |
ABC2D3 |
-22.27 |
8.41 |
-10.15 |
-0.89 |
0 |
|
|
6725 |
69716 |
1 |
ClF3H6C8 |
AB3C6D8 |
-153.18 |
3.51 |
-10.26 |
-0.81 |
0 |
|
|
6726 |
69722 |
1 |
OPC11H13 |
ABC11D13 |
-48.21 |
5.88 |
-9.74 |
0.04 |
0 |
|
|
6727 |
69734 |
2 |
OC6H6 |
AB6C6 |
-46.98 |
1.06 |
-8.58 |
-0.37 |
0 |
|
|
6728 |
69736 |
1 |
O2N5C7H7 |
A2B5C7D7 |
-10.37 |
5.85 |
-9.92 |
-1.38 |
0 |
|
|
6729 |
69746 |
1 |
O3C12H16 |
A3B12C16 |
-130.88 |
1.47 |
-8.71 |
0.0 |
0 |
|
|
6730 |
69755 |
1 |
FNSCl2O2H4C9 |
ABCD2E2F4G9 |
-89.91 |
5.85 |
-9.68 |
-1.72 |
0 |
|
|
6731 |
69759 |
1 |
NOC14H21 |
ABC14D21 |
-44.4 |
1.81 |
-7.75 |
0.36 |
0 |
|
|
6732 |
69760 |
1 |
SN2O2F3H7C9 |
AB2C2D3E7F9 |
-202.3 |
6.6 |
-9.9 |
-1.4 |
0 |
|
|
6733 |
69761 |
1 |
O3H12C14 |
A3B12C14 |
-80.23 |
2.58 |
-8.96 |
-0.94 |
0 |
|
|
6734 |
69763 |
1 |
N2H14C15 |
A2B14C15 |
73.83 |
2.84 |
-8.53 |
-0.42 |
0 |
|
|
6735 |
69765 |
1 |
NO3C14H21 |
AB3C14D21 |
-75.54 |
6.69 |
-9.54 |
-1.05 |
0 |
|
|
6736 |
69767 |
1 |
OF3H9C14 |
AB3C9D14 |
-143.46 |
3.89 |
-10.21 |
-1.22 |
0 |
|
|
6737 |
69770 |
2 |
ON2H5C6 |
AB2C5D6 |
87.24 |
7.53 |
-8.7 |
-1.45 |
0 |
|
|
6738 |
69774 |
4 |
OH3C4 |
AB3C4 |
-113.33 |
4.4 |
-9.34 |
-1.69 |
0 |
|
|
6739 |
69776 |
2 |
NO2H6C7 |
AB2C6D7 |
24.19 |
0.09 |
-10.57 |
-1.58 |
0 |
|
|
6740 |
69779 |
2 |
O2H7C10 |
A2B7C10 |
-76.71 |
2.19 |
-9.47 |
-1.27 |
0 |
|
|
6741 |
69784 |
1 |
NO3C45H69 |
AB3C45D69 |
-199.89 |
2.8 |
-8.38 |
0.41 |
0 |
|
|
6742 |
69785 |
1 |
NSH2O2C8F17 |
ABC2D2E8F17 |
-906.46 |
4.16 |
-11.6 |
-1.13 |
0 |
|
|
6743 |
69786 |
6 |
CF2 |
AB2 |
-572.5 |
1.31 |
-11.67 |
-1.13 |
0 |
|
|
6744 |
69787 |
1 |
O3F4C5H6 |
A3B4C5D6 |
-330.95 |
3.15 |
-11.61 |
-0.28 |
0 |
|
|
6745 |
69788 |
2 |
IC2F2H2 |
AB2C2D2 |
-182.05 |
0.33 |
-10.18 |
-2.3 |
0 |
|
|
6746 |
69795 |
1 |
SiC4H12 |
AB4C12 |
-41.57 |
0.48 |
-9.69 |
1.34 |
0 |
|
|
6747 |
69831 |
1 |
BrSC5H5 |
ABC5D5 |
26.8 |
2.08 |
-9.3 |
-0.31 |
0 |
|
|
6748 |
69841 |
1 |
O3C6H10 |
A3B6C10 |
-135.12 |
4.98 |
-10.19 |
0.54 |
0 |
|
|
6749 |
69846 |
1 |
BrH3N4C5 |
AB3C4D5 |
91.12 |
6.93 |
-9.94 |
-1.68 |
0 |
|
|
6750 |
69852 |
2 |
OC4H8 |
AB4C8 |
-118.08 |
2.66 |
-9.84 |
1.94 |
0 |
|
|
6751 |
69855 |
1 |
ClN2O2H5C6 |
AB2C2D5E6 |
3.52 |
4.05 |
-9.31 |
-1.37 |
0 |
|
|
6752 |
69858 |
1 |
OH2F4C6 |
AB2C4D6 |
-196.17 |
1.28 |
-10.07 |
-1.0 |
0 |
|
|
6753 |
69861 |
1 |
NC10H15 |
AB10C15 |
-2.15 |
1.52 |
-8.25 |
0.53 |
0 |
|
|
6754 |
69865 |
1 |
NO3H7C8 |
AB3C7D8 |
-53.62 |
2.25 |
-8.97 |
-0.6 |
0 |
|
|
6755 |
69866 |
2 |
OC5H6 |
AB5C6 |
-10.41 |
2.25 |
-9.33 |
-0.05 |
0 |
|
|
6756 |
69872 |
2 |
NC5H5 |
AB5C5 |
40.35 |
3.51 |
-8.11 |
-0.29 |
0 |
|
|
6757 |
69876 |
1 |
FOH9C10 |
ABC9D10 |
-42.83 |
2.63 |
-10.12 |
-0.72 |
0 |
|
|
6758 |
69878 |
1 |
SiCl2C9H12 |
AB2C9D12 |
-82.6 |
2.09 |
-9.29 |
-0.09 |
0 |
|
|
6759 |
69879 |
1 |
PO2Cl3H4C6 |
AB2C3D4E6 |
-143.82 |
1.77 |
-9.7 |
-1.11 |
0 |