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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27723 |
823279 |
1 |
SO4C16H18 |
AB4C16D18 |
-111.99 |
4.26 |
-8.92 |
-0.54 |
0 |
|
|
27724 |
823282 |
1 |
ClNSC14H20 |
ABCD14E20 |
-2.03 |
2.53 |
-8.8 |
-0.52 |
0 |
|
|
27725 |
823286 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-38.57 |
5.67 |
-8.81 |
-1.38 |
0 |
|
|
27726 |
823287 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-35.8 |
6.49 |
-8.84 |
-1.37 |
0 |
|
|
27727 |
823292 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-85.16 |
2.67 |
-8.5 |
-0.03 |
0 |
|
|
27728 |
823294 |
1 |
OCl2N3C13H13 |
AB2C3D13E13 |
10.77 |
6.33 |
-9.38 |
-0.19 |
0 |
|
|
27729 |
823303 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-35.56 |
6.58 |
-8.66 |
-1.45 |
0 |
|
|
27730 |
823304 |
1 |
FO2N3H8C10 |
AB2C3D8E10 |
21.28 |
7.12 |
-10.35 |
-0.99 |
0 |
|
|
27731 |
823314 |
1 |
OSN3C10H11 |
ABC3D10E11 |
51.3 |
5.17 |
-8.51 |
-0.96 |
0 |
|
|
27732 |
823317 |
1 |
NSO2H17C18 |
ABC2D17E18 |
-40.02 |
2.54 |
-8.88 |
-1.28 |
0 |
|
|
27733 |
823320 |
1 |
OSN4C10H12 |
ABC4D10E12 |
52.19 |
6.48 |
-8.4 |
-0.4 |
0 |
|
|
27734 |
823326 |
1 |
OSN4H8C14 |
ABC4D8E14 |
89.09 |
1.98 |
-9.3 |
-1.75 |
0 |
|
|
27735 |
823337 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-132.43 |
4.91 |
-9.51 |
-0.95 |
0 |
|
|
27736 |
823339 |
1 |
ON2C14H14 |
AB2C14D14 |
6.22 |
4.1 |
-9.46 |
-0.32 |
0 |
|
|
27737 |
823344 |
1 |
NOC14H21 |
ABC14D21 |
-43.52 |
2.95 |
-9.22 |
0.47 |
0 |
|
|
27738 |
823346 |
1 |
NOC19H29 |
ABC19D29 |
-54.66 |
1.88 |
-8.78 |
0.62 |
0 |
|
|
27739 |
823347 |
1 |
N2O6C17H18 |
A2B6C17D18 |
-222.27 |
5.21 |
-9.46 |
-1.55 |
0 |
|
|
27740 |
823352 |
1 |
NOC14H21 |
ABC14D21 |
-49.36 |
2.34 |
-9.25 |
0.48 |
0 |
|
|
27741 |
823356 |
1 |
NO2C15H15 |
AB2C15D15 |
-21.6 |
3.79 |
-9.24 |
-0.45 |
0 |
|
|
27742 |
823358 |
1 |
N2O3H12C16 |
A2B3C12D16 |
-21.75 |
3.67 |
-9.29 |
-1.73 |
0 |
|
|
27743 |
823364 |
1 |
NSO3C16H17 |
ABC3D16E17 |
-67.02 |
5.96 |
-9.4 |
-0.87 |
0 |
|
|
27744 |
823366 |
1 |
N2O3H14C18 |
A2B3C14D18 |
15.26 |
5.59 |
-8.63 |
-1.81 |
0 |
|
|
27745 |
823371 |
1 |
NO3C17H19 |
AB3C17D19 |
-90.89 |
3.62 |
-8.69 |
-0.13 |
0 |
|
|
27746 |
823373 |
1 |
SN2O3C12H12 |
AB2C3D12E12 |
-65.49 |
5.91 |
-8.85 |
-1.92 |
0 |
|
|
27747 |
823389 |
1 |
NO2C17H19 |
AB2C17D19 |
-59.96 |
5.21 |
-8.66 |
-0.28 |
0 |
|
|
27748 |
823400 |
1 |
NO2H19C20 |
AB2C19D20 |
-33.46 |
6.05 |
-8.41 |
-0.37 |
0 |
|
|
27749 |
823413 |
1 |
NO2C20H31 |
AB2C20D31 |
-107.9 |
3.23 |
-8.87 |
0.15 |
0 |
|
|
27750 |
823414 |
1 |
SN2O2H14C19 |
AB2C2D14E19 |
17.73 |
3.29 |
-8.91 |
-0.79 |
0 |
|
|
27751 |
823429 |
1 |
ON3H17C21 |
AB3C17D21 |
67.48 |
2.11 |
-8.16 |
-0.89 |
0 |
|
|
27752 |
823432 |
1 |
NO4C17H17 |
AB4C17D17 |
-119.03 |
2.25 |
-9.06 |
-0.34 |
0 |
|
|
27753 |
823433 |
1 |
ClFNO2H9C15 |
ABCD2E9F15 |
-59.0 |
3.96 |
-9.15 |
-1.2 |
0 |
|
|
27754 |
823434 |
1 |
NO5H15C19 |
AB5C15D19 |
-110.74 |
5.82 |
-9.26 |
-1.41 |
0 |
|
|
27755 |
823443 |
1 |
NO3C18H19 |
AB3C18D19 |
-110.16 |
6.66 |
-8.84 |
-0.81 |
0 |
|
|
27756 |
823445 |
1 |
OS2N3H11C15 |
AB2C3D11E15 |
53.12 |
3.75 |
-8.76 |
-1.26 |
0 |
|
|
27757 |
823447 |
1 |
OS2N3C14H15 |
AB2C3D14E15 |
26.73 |
3.38 |
-8.14 |
-1.32 |
0 |
|
|
27758 |
823451 |
1 |
N2O2F3C17H19 |
A2B2C3D17E19 |
-237.11 |
6.42 |
-9.54 |
-0.55 |
0 |
|
|
27759 |
823458 |
1 |
NO3C17H17 |
AB3C17D17 |
-69.59 |
3.0 |
-8.79 |
0.05 |
0 |
|
|
27760 |
823460 |
2 |
ClNOH6C7 |
ABCD6E7 |
-49.94 |
2.49 |
-8.2 |
-0.99 |
0 |
|
|
27761 |
823461 |
1 |
NO3C18H19 |
AB3C18D19 |
-91.57 |
2.92 |
-8.94 |
-0.14 |
0 |
|
|
27762 |
823464 |
1 |
ClFNO2H13C15 |
ABCD2E13F15 |
-112.21 |
5.62 |
-9.3 |
-0.47 |
0 |
|
|
27763 |
823466 |
2 |
O2H9C11 |
A2B9C11 |
-71.76 |
0.32 |
-9.31 |
-0.81 |
0 |
|
|
27764 |
823471 |
1 |
FN2O4C17H19 |
AB2C4D17E19 |
-194.86 |
5.41 |
-9.26 |
-0.3 |
0 |
|
|
27765 |
823472 |
1 |
ClNO2C14H20 |
ABC2D14E20 |
-106.9 |
2.63 |
-9.03 |
-0.22 |
0 |
|
|
27766 |
823473 |
1 |
O2N5C12H19 |
A2B5C12D19 |
-72.1 |
6.43 |
-8.77 |
-0.42 |
0 |
|
|
27767 |
823476 |
1 |
ION3H8C13 |
ABC3D8E13 |
106.56 |
3.44 |
-9.82 |
-1.43 |
0 |
|
|
27768 |
823480 |
1 |
BrON2H11C15 |
ABC2D11E15 |
71.3 |
0.42 |
-9.31 |
-1.25 |
0 |
|
|
27769 |
823481 |
1 |
ON2H14C16 |
AB2C14D16 |
60.19 |
2.98 |
-9.34 |
-0.9 |
0 |
|
|
27770 |
823485 |
1 |
ON2H16C21 |
AB2C16D21 |
92.87 |
3.16 |
-9.32 |
-1.07 |
0 |
|
|
27771 |
823486 |
1 |
FINOH9C13 |
ABCDE9F13 |
-23.42 |
2.23 |
-9.28 |
-1.29 |
0 |
|
|
27772 |
823490 |
1 |
OCl2N2H8C14 |
AB2C2D8E14 |
61.08 |
4.14 |
-9.51 |
-1.29 |
0 |
|
|
27773 |
823496 |
1 |
ClSN3C15H16 |
ABC3D15E16 |
57.46 |
1.7 |
-8.39 |
-0.56 |
0 |
|
|
27774 |
823501 |
1 |
N2O5H10C12 |
A2B5C10D12 |
-190.24 |
3.3 |
-9.3 |
-1.27 |
0 |
|
|
27775 |
823504 |
1 |
BrN3O3H8C11 |
AB3C3D8E11 |
-70.45 |
8.28 |
-9.8 |
-1.75 |
0 |
|
|
27776 |
823505 |
1 |
NO4C19H21 |
AB4C19D21 |
-149.67 |
3.34 |
-8.69 |
-0.27 |
0 |
|
|
27777 |
823510 |
1 |
SO2N3H11C15 |
AB2C3D11E15 |
15.12 |
3.26 |
-8.97 |
-1.72 |
0 |
|
|
27778 |
823513 |
1 |
OCl2N2H12C16 |
AB2C2D12E16 |
2.71 |
2.67 |
-9.3 |
-1.0 |
0 |
|
|
27779 |
823516 |
1 |
N2O2H12C15 |
A2B2C12D15 |
-7.37 |
2.99 |
-8.88 |
-0.76 |
0 |
|
|
27780 |
823518 |
1 |
N3O3H9C14 |
A3B3C9D14 |
28.57 |
5.76 |
-9.59 |
-1.62 |
0 |
|
|
27781 |
823519 |
1 |
ClN3O3H8C14 |
AB3C3D8E14 |
20.73 |
5.46 |
-9.71 |
-1.92 |
0 |
|
|
27782 |
823529 |
1 |
ON3H15C17 |
AB3C15D17 |
36.95 |
5.34 |
-8.5 |
-0.63 |
0 |
|
|
27783 |
823532 |
1 |
N2O4H12C19 |
A2B4C12D19 |
-61.88 |
3.88 |
-9.01 |
-1.9 |
0 |
|
|
27784 |
823537 |
1 |
SO2N3C9H15 |
AB2C3D9E15 |
-84.95 |
1.39 |
-8.89 |
-0.79 |
0 |
|
|
27785 |
823540 |
1 |
NO3C14H17 |
AB3C14D17 |
-111.12 |
5.23 |
-9.44 |
-0.93 |
0 |
|
|
27786 |
823554 |
1 |
N6H8C9 |
A6B8C9 |
137.79 |
0.85 |
-8.67 |
-1.66 |
0 |
|
|
27787 |
823555 |
1 |
SN3H9C11 |
AB3C9D11 |
72.79 |
2.29 |
-8.56 |
-0.88 |
0 |
|
|
27788 |
823571 |
1 |
O2N5C12H13 |
A2B5C12D13 |
-17.95 |
0.95 |
-8.66 |
-1.05 |
0 |
|
|
27789 |
823583 |
1 |
BrON2H11C15 |
ABC2D11E15 |
70.91 |
3.54 |
-9.52 |
-1.11 |
0 |
|
|
27790 |
823584 |
2 |
OC7H11 |
AB7C11 |
-95.24 |
3.14 |
-9.15 |
0.82 |
0 |
|
|
27791 |
823596 |
2 |
OH7C8 |
AB7C8 |
-38.24 |
1.47 |
-8.85 |
-0.05 |
0 |
|
|
27792 |
823602 |
1 |
NO2F3H14C16 |
AB2C3D14E16 |
-202.84 |
2.27 |
-9.3 |
-0.73 |
0 |
|
|
27793 |
823603 |
1 |
ClNOF3C14H15 |
ABCD3E14F15 |
-213.97 |
7.8 |
-9.16 |
-0.85 |
0 |
|
|
27794 |
823608 |
1 |
FON2H9C14 |
ABC2D9E14 |
-6.59 |
0.43 |
-9.46 |
-1.08 |
0 |
|
|
27795 |
823610 |
1 |
ClN3O3H8C14 |
AB3C3D8E14 |
31.87 |
4.38 |
-9.69 |
-1.96 |
0 |
|
|
27796 |
823615 |
2 |
NOC5H5 |
ABC5D5 |
34.15 |
5.73 |
-10.75 |
-1.55 |
0 |
|
|
27797 |
823617 |
1 |
ClN2O2H13C17 |
AB2C2D13E17 |
0.09 |
1.95 |
-8.86 |
-1.16 |
0 |
|
|
27798 |
823619 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-77.52 |
4.37 |
-8.82 |
-1.39 |
0 |
|
|
27799 |
823620 |
2 |
NO2C9H10 |
AB2C9D10 |
-86.95 |
6.46 |
-8.49 |
-0.73 |
0 |
|
|
27800 |
823646 |
1 |
ClSN2O3H11C13 |
ABC2D3E11F13 |
-78.75 |
3.74 |
-9.44 |
-1.35 |
0 |
|
|
27801 |
823659 |
1 |
ClNOH16C19 |
ABCD16E19 |
6.46 |
1.77 |
-9.13 |
-0.82 |
0 |
|
|
27802 |
823663 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-13.04 |
6.31 |
-8.49 |
-1.07 |
0 |
|
|
27803 |
823680 |
1 |
ClN2O2H13C14 |
AB2C2D13E14 |
-37.43 |
2.5 |
-9.3 |
-0.77 |
0 |
|
|
27804 |
823682 |
1 |
N3O3C6H7 |
A3B3C6D7 |
36.72 |
4.81 |
-9.84 |
-0.99 |
0 |
|
|
27805 |
823683 |
1 |
ON2C17H20 |
AB2C17D20 |
-8.8 |
5.09 |
-9.72 |
-0.24 |
0 |
|
|
27806 |
823684 |
1 |
ON2C13H18 |
AB2C13D18 |
-34.83 |
3.43 |
-9.92 |
-0.24 |
0 |
|
|
27807 |
823686 |
1 |
BrO2N3H10C12 |
AB2C3D10E12 |
51.66 |
2.47 |
-9.46 |
-1.34 |
0 |
|
|
27808 |
823687 |
1 |
ON2C16H16 |
AB2C16D16 |
19.78 |
3.63 |
-9.42 |
-0.39 |
0 |
|
|
27809 |
823690 |
1 |
N3O3C9H13 |
A3B3C9D13 |
-23.32 |
1.71 |
-10.11 |
-0.8 |
0 |
|
|
27810 |
823691 |
1 |
N4O5C9H12 |
A4B5C9D12 |
-17.13 |
3.28 |
-9.88 |
-0.99 |
0 |
|
|
27811 |
823693 |
1 |
FN4C16H25 |
AB4C16D25 |
-36.49 |
4.98 |
-8.6 |
0.26 |
0 |
|
|
27812 |
823694 |
2 |
NOH9C11 |
ABC9D11 |
26.44 |
2.79 |
-8.72 |
-0.81 |
0 |
|
|
27813 |
823695 |
1 |
O2N3H17C20 |
A2B3C17D20 |
23.99 |
3.15 |
-9.41 |
-1.01 |
0 |
|
|
27814 |
823696 |
1 |
S2N3O3H9C14 |
A2B3C3D9E14 |
59.82 |
4.69 |
-9.15 |
-1.93 |
0 |
|
|
27815 |
823697 |
1 |
N2O4H12C17 |
A2B4C12D17 |
-45.59 |
0.63 |
-8.97 |
-1.28 |
0 |
|
|
27816 |
823698 |
1 |
N2O3H14C18 |
A2B3C14D18 |
12.17 |
9.85 |
-9.25 |
-1.29 |
0 |
|
|
27817 |
823707 |
1 |
NO2H15C19 |
AB2C15D19 |
-18.65 |
5.32 |
-9.17 |
-1.06 |
0 |
|
|
27818 |
823708 |
1 |
NO3H17C20 |
AB3C17D20 |
-57.45 |
8.41 |
-9.05 |
-1.27 |
0 |
|
|
27819 |
823730 |
1 |
OF2N6H10C16 |
AB2C6D10E16 |
80.64 |
6.02 |
-9.38 |
-1.97 |
0 |
|
|
27820 |
823732 |
1 |
N3O5H15C16 |
A3B5C15D16 |
-22.74 |
3.69 |
-9.16 |
-2.1 |
0 |
|
|
27821 |
823735 |
1 |
SO2N4H14C16 |
AB2C4D14E16 |
17.13 |
4.8 |
-8.94 |
-1.22 |
0 |
|
|
27822 |
823740 |
2 |
NO2C9H10 |
AB2C9D10 |
-88.81 |
7.71 |
-8.45 |
-0.51 |
0 |