List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27623 |
822672 |
1 |
NO2H15C22 |
AB2C15D22 |
29.1 |
7.63 |
-8.42 |
-1.67 |
0 |
|
|
27624 |
822678 |
1 |
ClNO4H14C18 |
ABC4D14E18 |
-71.57 |
1.98 |
-8.52 |
-1.38 |
0 |
|
|
27625 |
822680 |
1 |
FNO4H14C18 |
ABC4D14E18 |
-109.98 |
1.65 |
-8.52 |
-1.33 |
0 |
|
|
27626 |
822683 |
1 |
SCl2N3H11C15 |
AB2C3D11E15 |
81.92 |
4.07 |
-8.58 |
-1.26 |
0 |
|
|
27627 |
822689 |
1 |
OSN2C8H12 |
ABC2D8E12 |
-39.14 |
4.34 |
-8.83 |
-0.67 |
0 |
|
|
27628 |
822694 |
1 |
N2O4H14C19 |
A2B4C14D19 |
12.37 |
4.02 |
-9.26 |
-1.8 |
0 |
|
|
27629 |
822695 |
1 |
ClSN3H12C14 |
ABC3D12E14 |
66.71 |
6.94 |
-9.03 |
-1.11 |
0 |
|
|
27630 |
822699 |
1 |
N2O4H14C19 |
A2B4C14D19 |
13.1 |
3.63 |
-9.34 |
-1.83 |
0 |
|
|
27631 |
822704 |
1 |
SN2O3C13H14 |
AB2C3D13E14 |
-61.37 |
3.81 |
-8.76 |
-1.34 |
0 |
|
|
27632 |
822708 |
1 |
NSO4C15H15 |
ABC4D15E15 |
-109.92 |
4.67 |
-8.66 |
-0.52 |
0 |
|
|
27633 |
822717 |
1 |
IN2O2H11C12 |
AB2C2D11E12 |
-17.18 |
3.95 |
-8.88 |
-1.01 |
0 |
|
|
27634 |
822724 |
1 |
ClNO2H14C18 |
ABC2D14E18 |
-10.24 |
2.76 |
-9.16 |
-1.3 |
0 |
|
|
27635 |
822730 |
1 |
ClNO2H12C13 |
ABC2D12E13 |
-70.75 |
2.19 |
-8.87 |
-0.6 |
0 |
|
|
27636 |
822741 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-43.17 |
4.63 |
-9.72 |
0.01 |
0 |
|
|
27637 |
822742 |
1 |
ClSO2H11C19 |
ABC2D11E19 |
20.93 |
2.73 |
-8.49 |
-1.37 |
0 |
|
|
27638 |
822751 |
1 |
O2H16C17 |
A2B16C17 |
-47.56 |
4.94 |
-9.15 |
-0.17 |
0 |
|
|
27639 |
822754 |
1 |
NOCl2H9C10 |
ABC2D9E10 |
-28.93 |
6.88 |
-8.9 |
-0.61 |
0 |
|
|
27640 |
822756 |
1 |
O2N5C9H9 |
A2B5C9D9 |
48.13 |
3.35 |
-9.78 |
-1.08 |
0 |
|
|
27641 |
822767 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-102.43 |
5.66 |
-8.92 |
-0.9 |
0 |
|
|
27642 |
822768 |
1 |
NSO3C19H23 |
ABC3D19E23 |
-104.97 |
5.99 |
-8.1 |
-0.57 |
0 |
|
|
27643 |
822772 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-29.04 |
4.18 |
-8.4 |
-0.38 |
0 |
|
|
27644 |
822774 |
2 |
NSO2C6H6 |
ABC2D6E6 |
-105.04 |
8.75 |
-9.48 |
-1.08 |
0 |
|
|
27645 |
822784 |
1 |
N2O2C21H24 |
A2B2C21D24 |
-48.13 |
2.88 |
-8.15 |
-0.37 |
0 |
|
|
27646 |
822785 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-64.0 |
5.84 |
-8.49 |
-0.17 |
0 |
|
|
27647 |
822790 |
2 |
NOC7H8 |
ABC7D8 |
-70.28 |
7.37 |
-8.08 |
0.08 |
0 |
|
|
27648 |
822791 |
1 |
BrN4H7C13 |
AB4C7D13 |
143.08 |
8.6 |
-8.74 |
-2.25 |
0 |
|
|
27649 |
822808 |
1 |
NO3C15H17 |
AB3C15D17 |
-69.34 |
2.3 |
-8.19 |
-0.23 |
0 |
|
|
27650 |
822824 |
1 |
OSN2H18C19 |
ABC2D18E19 |
62.38 |
2.73 |
-7.96 |
-0.25 |
0 |
|
|
27651 |
822828 |
1 |
FO2N3H14C16 |
AB2C3D14E16 |
-47.07 |
5.13 |
-9.48 |
-1.4 |
0 |
|
|
27652 |
822829 |
1 |
O5H14C21 |
A5B14C21 |
-101.5 |
2.35 |
-9.54 |
-1.92 |
0 |
|
|
27653 |
822833 |
1 |
ON4C14H18 |
AB4C14D18 |
79.05 |
7.9 |
-8.37 |
-0.7 |
0 |
|
|
27654 |
822846 |
1 |
F2N2O3H10C14 |
A2B2C3D10E14 |
-141.25 |
4.09 |
-9.73 |
-1.43 |
0 |
|
|
27655 |
822851 |
1 |
O3N4H6C7 |
A3B4C6D7 |
25.83 |
10.55 |
-9.89 |
-1.66 |
0 |
|
|
27656 |
822856 |
1 |
FNO3C16H20 |
ABC3D16E20 |
-87.62 |
7.55 |
-9.68 |
-1.3 |
0 |
|
|
27657 |
822872 |
1 |
ClFNO3H11C17 |
ABCD3E11F17 |
-98.11 |
6.88 |
-9.75 |
-0.99 |
0 |
|
|
27658 |
822873 |
1 |
FN2O3H11C14 |
AB2C3D11E14 |
-52.24 |
5.74 |
-9.29 |
-1.55 |
0 |
|
|
27659 |
822875 |
1 |
OSN2H12C15 |
ABC2D12E15 |
30.62 |
4.84 |
-9.03 |
-0.69 |
0 |
|
|
27660 |
822887 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-149.93 |
9.27 |
-9.24 |
-0.16 |
0 |
|
|
27661 |
822898 |
1 |
NO2C12H17 |
AB2C12D17 |
-68.78 |
4.17 |
-9.3 |
-0.13 |
0 |
|
|
27662 |
822902 |
1 |
N5H15C17 |
A5B15C17 |
130.81 |
9.47 |
-8.6 |
-0.9 |
0 |
|
|
27663 |
822911 |
1 |
ClNO2H12C14 |
ABC2D12E14 |
-58.65 |
1.28 |
-9.24 |
-0.43 |
0 |
|
|
27664 |
822919 |
1 |
FN5H12C16 |
AB5C12D16 |
91.76 |
7.41 |
-8.85 |
-1.09 |
0 |
|
|
27665 |
822920 |
1 |
BrN2O2H13C16 |
AB2C2D13E16 |
-16.92 |
3.78 |
-9.75 |
-0.58 |
0 |
|
|
27666 |
822922 |
1 |
ClFN5H9C15 |
ABC5D9E15 |
92.23 |
8.81 |
-9.21 |
-1.31 |
0 |
|
|
27667 |
822924 |
1 |
FOH11C18 |
ABC11D18 |
14.51 |
1.99 |
-8.39 |
-1.1 |
0 |
|
|
27668 |
822927 |
2 |
NOC9H9 |
ABC9D9 |
-35.61 |
5.09 |
-8.59 |
-0.43 |
0 |
|
|
27669 |
822929 |
1 |
FON2H15C22 |
ABC2D15E22 |
37.23 |
2.08 |
-9.1 |
-1.08 |
0 |
|
|
27670 |
822930 |
1 |
NOC18H19 |
ABC18D19 |
14.7 |
2.61 |
-9.21 |
-0.35 |
0 |
|
|
27671 |
822932 |
1 |
NO3C19H21 |
AB3C19D21 |
-60.53 |
5.11 |
-8.83 |
-0.47 |
0 |
|
|
27672 |
822941 |
1 |
NOC17H19 |
ABC17D19 |
12.11 |
1.93 |
-8.73 |
-0.4 |
0 |
|
|
27673 |
822944 |
1 |
FNO2C20H22 |
ABC2D20E22 |
-75.79 |
2.49 |
-8.92 |
-0.57 |
0 |
|
|
27674 |
822952 |
1 |
F2N5H11C16 |
A2B5C11D16 |
44.95 |
9.96 |
-9.18 |
-1.12 |
0 |
|
|
27675 |
822956 |
1 |
NO2C19H29 |
AB2C19D29 |
-83.53 |
2.51 |
-8.53 |
-0.28 |
0 |
|
|
27676 |
823006 |
1 |
ClON2C16H17 |
ABC2D16E17 |
25.28 |
4.59 |
-9.61 |
-0.44 |
0 |
|
|
27677 |
823011 |
1 |
N2O3H16C20 |
A2B3C16D20 |
5.11 |
4.91 |
-8.95 |
-1.38 |
0 |
|
|
27678 |
823014 |
1 |
N3O3H13C15 |
A3B3C13D15 |
54.58 |
4.89 |
-10.61 |
-1.68 |
0 |
|
|
27679 |
823019 |
1 |
ON3H13C16 |
AB3C13D16 |
100.97 |
7.2 |
-9.83 |
-0.18 |
0 |
|
|
27680 |
823025 |
1 |
ClNO4C11H12 |
ABC4D11E12 |
-169.7 |
5.75 |
-10.11 |
-0.91 |
0 |
|
|
27681 |
823032 |
1 |
ClNO3H14C16 |
ABC3D14E16 |
-90.84 |
7.46 |
-9.88 |
-0.83 |
0 |
|
|
27682 |
823035 |
1 |
N2O5C12H14 |
A2B5C12D14 |
-123.66 |
5.44 |
-10.43 |
-1.91 |
0 |
|
|
27683 |
823037 |
1 |
N2O5C12H14 |
A2B5C12D14 |
-123.88 |
7.31 |
-10.46 |
-1.88 |
0 |
|
|
27684 |
823041 |
1 |
O5C9H10 |
A5B9C10 |
-198.02 |
4.78 |
-11.08 |
-0.07 |
0 |
|
|
27685 |
823048 |
1 |
NO6C18H23 |
AB6C18D23 |
-183.12 |
4.81 |
-9.34 |
0.04 |
0 |
|
|
27686 |
823051 |
1 |
NO6C13H21 |
AB6C13D21 |
-220.61 |
4.12 |
-10.24 |
0.33 |
0 |
|
|
27687 |
823060 |
1 |
NO7C16H21 |
AB7C16D21 |
-219.76 |
4.25 |
-9.29 |
0.24 |
0 |
|
|
27688 |
823081 |
1 |
NO5C13H17 |
AB5C13D17 |
-135.77 |
4.79 |
-9.35 |
0.28 |
0 |
|
|
27689 |
823091 |
1 |
O9C11H18 |
A9B11C18 |
-363.04 |
4.63 |
-10.51 |
-0.09 |
0 |
|
|
27690 |
823106 |
1 |
NO5C14H17 |
AB5C14D17 |
-144.95 |
2.68 |
-9.52 |
0.2 |
0 |
|
|
27691 |
823108 |
2 |
NSC4H5 |
ABC4D5 |
37.58 |
5.74 |
-9.05 |
-1.4 |
0 |
|
|
27692 |
823112 |
1 |
SO3N5C11H13 |
AB3C5D11E13 |
-78.98 |
1.6 |
-9.16 |
-0.97 |
0 |
|
|
27693 |
823113 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-8.33 |
2.16 |
-8.3 |
-0.23 |
0 |
|
|
27694 |
823116 |
2 |
NOC7H9 |
ABC7D9 |
-40.67 |
3.41 |
-8.72 |
0.42 |
0 |
|
|
27695 |
823117 |
1 |
ON2C16H22 |
AB2C16D22 |
-16.93 |
2.0 |
-8.63 |
0.3 |
0 |
|
|
27696 |
823119 |
1 |
SN4O4C13H16 |
AB4C4D13E16 |
-126.76 |
5.05 |
-8.96 |
-0.79 |
0 |
|
|
27697 |
823141 |
1 |
O4N5C12H15 |
A4B5C12D15 |
-124.37 |
12.65 |
-9.72 |
-0.82 |
0 |
|
|
27698 |
823142 |
1 |
O4N5C13H17 |
A4B5C13D17 |
-128.47 |
12.47 |
-9.68 |
-0.78 |
0 |
|
|
27699 |
823143 |
1 |
O2N6C9H12 |
A2B6C9D12 |
-13.72 |
3.99 |
-9.04 |
-0.68 |
0 |
|
|
27700 |
823151 |
1 |
BrO3N4C9H9 |
AB3C4D9E9 |
-89.23 |
10.24 |
-9.48 |
-0.95 |
0 |
|
|
27701 |
823152 |
1 |
ClO3N4C9H9 |
AB3C4D9E9 |
-98.77 |
9.53 |
-9.48 |
-0.99 |
0 |
|
|
27702 |
823155 |
1 |
N4O6C11H12 |
A4B6C11D12 |
-136.53 |
3.01 |
-10.22 |
-1.28 |
0 |
|
|
27703 |
823156 |
1 |
O3N5C13H15 |
A3B5C13D15 |
-88.18 |
6.13 |
-9.19 |
-0.67 |
0 |
|
|
27704 |
823157 |
1 |
ClSO3N4H9C11 |
ABC3D4E9F11 |
16.36 |
2.93 |
-8.76 |
-1.73 |
0 |
|
|
27705 |
823158 |
1 |
SO2N7C11H11 |
AB2C7D11E11 |
38.24 |
5.75 |
-9.78 |
-1.96 |
0 |
|
|
27706 |
823160 |
1 |
NO2H19C23 |
AB2C19D23 |
18.36 |
3.61 |
-8.53 |
-0.98 |
0 |
|
|
27707 |
823170 |
1 |
ON8C16H20 |
AB8C16D20 |
74.33 |
2.92 |
-9.07 |
-0.18 |
0 |
|
|
27708 |
823194 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-138.88 |
3.24 |
-9.34 |
-0.11 |
0 |
|
|
27709 |
823195 |
1 |
NSO2C20H23 |
ABC2D20E23 |
-36.15 |
5.37 |
-8.8 |
-0.07 |
0 |
|
|
27710 |
823199 |
1 |
NSO2C20H23 |
ABC2D20E23 |
-34.66 |
5.19 |
-8.78 |
-0.03 |
0 |
|
|
27711 |
823203 |
1 |
SO2N3C14H15 |
AB2C3D14E15 |
-19.88 |
7.25 |
-8.96 |
-0.63 |
0 |
|
|
27712 |
823208 |
1 |
OSN2C11H12 |
ABC2D11E12 |
-10.95 |
6.42 |
-8.88 |
-0.57 |
0 |
|
|
27713 |
823212 |
1 |
OSN2H12C13 |
ABC2D12E13 |
64.37 |
4.97 |
-9.13 |
-0.64 |
0 |
|
|
27714 |
823218 |
1 |
ClN2S2O3H9C10 |
AB2C2D3E9F10 |
-63.38 |
2.6 |
-9.27 |
-1.26 |
0 |
|
|
27715 |
823231 |
1 |
OCl2N2S2H8C9 |
AB2C2D2E8F9 |
9.5 |
2.7 |
-9.26 |
-1.26 |
0 |
|
|
27716 |
823248 |
1 |
OSN5H13C16 |
ABC5D13E16 |
94.72 |
5.82 |
-9.3 |
-1.72 |
0 |
|
|
27717 |
823265 |
1 |
BrON4C12H13 |
ABC4D12E13 |
21.67 |
3.75 |
-9.31 |
-0.57 |
0 |
|
|
27718 |
823267 |
1 |
ON3C20H23 |
AB3C20D23 |
5.8 |
3.12 |
-8.74 |
-0.45 |
0 |
|
|
27719 |
823270 |
1 |
SO3C14H22 |
AB3C14D22 |
-130.03 |
5.48 |
-8.83 |
-0.18 |
0 |
|
|
27720 |
823273 |
1 |
SO3C15H24 |
AB3C15D24 |
-134.54 |
6.43 |
-8.74 |
-0.2 |
0 |
|
|
27721 |
823275 |
1 |
SO3C15H24 |
AB3C15D24 |
-132.39 |
5.2 |
-8.29 |
0.08 |
0 |
|
|
27722 |
823277 |
1 |
ClSO3C10H13 |
ABC3D10E13 |
-112.57 |
2.17 |
-8.92 |
-0.62 |
0 |