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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74752 |
48422407 |
1 |
SF2N2O4C17H22 |
AB2C2D4E17F22 |
-221.04 |
4.7 |
-9.18 |
-1.19 |
0 |
|
|
74753 |
48422408 |
1 |
SN3O5C18H27 |
AB3C5D18E27 |
-158.96 |
6.53 |
-9.64 |
-0.89 |
0 |
|
|
74754 |
48422410 |
1 |
N2O5C22H28 |
A2B5C22D28 |
-166.72 |
2.85 |
-8.31 |
0.13 |
0 |
|
|
74755 |
48422411 |
1 |
ClN2F3O3C17H20 |
AB2C3D3E17F20 |
-268.29 |
8.38 |
-9.14 |
-0.83 |
0 |
|
|
74756 |
48422415 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-209.52 |
4.14 |
-9.43 |
0.28 |
0 |
|
|
74757 |
48422418 |
1 |
BrNO2C15H20 |
ABC2D15E20 |
-53.07 |
1.66 |
-9.45 |
-0.22 |
0 |
|
|
74758 |
48422419 |
1 |
SN2F3O4C17H21 |
AB2C3D4E17F21 |
-261.22 |
4.32 |
-9.32 |
-1.4 |
0 |
|
|
74759 |
48422420 |
1 |
N2O5C20H30 |
A2B5C20D30 |
-168.54 |
3.21 |
-8.64 |
-0.27 |
0 |
|
|
74760 |
48422421 |
1 |
N2O5C18H26 |
A2B5C18D26 |
-159.13 |
4.36 |
-8.64 |
-0.33 |
0 |
|
|
74761 |
48422422 |
1 |
ClN3O4C19H20 |
AB3C4D19E20 |
-119.76 |
2.41 |
-9.5 |
-0.34 |
0 |
|
|
74762 |
48422425 |
1 |
NO2C15H21 |
AB2C15D21 |
-69.67 |
3.18 |
-8.86 |
0.31 |
0 |
|
|
74763 |
48422426 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-175.53 |
2.27 |
-9.74 |
-0.7 |
0 |
|
|
74764 |
48422427 |
1 |
NO4C16H21 |
AB4C16D21 |
-141.55 |
3.11 |
-9.89 |
-0.68 |
0 |
|
|
74765 |
48422430 |
1 |
NO3C20H29 |
AB3C20D29 |
-100.42 |
3.12 |
-8.48 |
0.48 |
0 |
|
|
74766 |
48422431 |
1 |
N2O5C22H28 |
A2B5C22D28 |
-168.82 |
2.72 |
-8.38 |
0.16 |
0 |
|
|
74767 |
48422432 |
1 |
NO2C19H27 |
AB2C19D27 |
-67.57 |
2.99 |
-9.45 |
0.19 |
0 |
|
|
74768 |
48422436 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-95.41 |
3.13 |
-9.02 |
-0.19 |
0 |
|
|
74769 |
48422439 |
1 |
NO4C18H27 |
AB4C18D27 |
-135.5 |
4.08 |
-8.31 |
0.14 |
0 |
|
|
74770 |
48422441 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-84.18 |
5.69 |
-8.98 |
-0.11 |
0 |
|
|
74771 |
48422442 |
1 |
NO3C21H25 |
AB3C21D25 |
-69.67 |
3.83 |
-8.99 |
-0.09 |
0 |
|
|
74772 |
48422445 |
1 |
SN3O5C20H23 |
AB3C5D20E23 |
-146.05 |
6.58 |
-9.22 |
-0.66 |
0 |
|
|
74773 |
48422448 |
1 |
NO3C15H21 |
AB3C15D21 |
-101.27 |
4.16 |
-8.26 |
0.13 |
0 |
|
|
74774 |
48422450 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-259.02 |
2.0 |
-9.26 |
-0.5 |
0 |
|
|
74775 |
48422451 |
1 |
NF3O3C15H18 |
AB3C3D15E18 |
-260.9 |
3.7 |
-9.62 |
-0.37 |
0 |
|
|
74776 |
48422452 |
1 |
NO3C19H23 |
AB3C19D23 |
-79.93 |
4.52 |
-8.46 |
-0.49 |
0 |
|
|
74777 |
48422453 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-136.45 |
4.26 |
-8.26 |
-0.06 |
0 |
|
|
74778 |
48422454 |
1 |
NO3C18H27 |
AB3C18D27 |
-112.21 |
5.03 |
-8.73 |
0.24 |
0 |
|
|
74779 |
48422455 |
1 |
NO2C17H25 |
AB2C17D25 |
-72.46 |
3.11 |
-9.46 |
0.27 |
0 |
|
|
74780 |
48422456 |
1 |
ClNO2C17H24 |
ABC2D17E24 |
-82.37 |
3.3 |
-9.47 |
-0.23 |
0 |
|
|
74781 |
48422457 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-167.95 |
3.96 |
-9.48 |
-0.27 |
0 |
|
|
74782 |
48422458 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-132.25 |
5.27 |
-9.63 |
-0.31 |
0 |
|
|
74783 |
48422459 |
1 |
FNO2C17H22 |
ABC2D17E22 |
-106.03 |
4.44 |
-9.31 |
0.07 |
0 |
|
|
74784 |
48422460 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-128.41 |
5.71 |
-9.23 |
-0.4 |
0 |
|
|
74785 |
48422461 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-98.32 |
2.58 |
-8.58 |
-0.09 |
0 |
|
|
74786 |
48422462 |
1 |
NO2C14H19 |
AB2C14D19 |
-62.85 |
2.74 |
-8.55 |
0.15 |
0 |
|
|
74787 |
48422470 |
1 |
NO3C14H19 |
AB3C14D19 |
-93.02 |
2.52 |
-8.25 |
0.14 |
0 |
|
|
74788 |
48422472 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-73.38 |
3.66 |
-8.49 |
-0.39 |
0 |
|
|
74789 |
48422473 |
1 |
ClN2O3C17H17 |
AB2C3D17E17 |
-99.25 |
5.61 |
-8.84 |
-0.36 |
0 |
|
|
74790 |
48422474 |
1 |
ClNO2C13H16 |
ABC2D13E16 |
-64.26 |
4.56 |
-8.86 |
-0.3 |
0 |
|
|
74791 |
48422477 |
1 |
ClNO3C14H18 |
ABC3D14E18 |
-101.7 |
5.63 |
-8.61 |
-0.28 |
0 |
|
|
74792 |
48422478 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-174.02 |
2.78 |
-9.4 |
-0.79 |
0 |
|
|
74793 |
48422480 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-84.61 |
2.46 |
-8.78 |
-0.09 |
0 |
|
|
74794 |
48422481 |
1 |
NO2C15H19 |
AB2C15D19 |
-48.93 |
5.07 |
-8.57 |
0.12 |
0 |
|
|
74795 |
48422482 |
1 |
NO3C19H21 |
AB3C19D21 |
-62.56 |
4.51 |
-8.78 |
-0.1 |
0 |
|
|
74796 |
48422483 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-130.98 |
6.93 |
-9.06 |
-0.51 |
0 |
|
|
74797 |
48422484 |
1 |
NO3C15H19 |
AB3C15D19 |
-96.54 |
1.56 |
-9.05 |
-0.59 |
0 |
|
|
74798 |
48422485 |
1 |
NO2C18H27 |
AB2C18D27 |
-78.67 |
2.82 |
-9.42 |
0.24 |
0 |
|
|
74799 |
48422486 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-146.98 |
2.61 |
-9.41 |
-0.01 |
0 |
|
|
74800 |
48422489 |
1 |
F2N2O3H16C17 |
A2B2C3D16E17 |
-181.02 |
6.57 |
-9.14 |
-0.49 |
0 |
|
|
74801 |
48422499 |
1 |
ClN2O4C18H19 |
AB2C4D18E19 |
-134.73 |
4.46 |
-8.57 |
-0.33 |
0 |
|
|
74802 |
48422502 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-172.49 |
5.83 |
-9.11 |
-0.59 |
0 |
|
|
74803 |
48422507 |
1 |
SN2O5C19H28 |
AB2C5D19E28 |
-172.32 |
8.58 |
-8.84 |
-0.66 |
0 |
|
|
74804 |
48422509 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-126.78 |
1.97 |
-9.23 |
0.3 |
0 |
|
|
74805 |
48422512 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-99.46 |
1.83 |
-8.98 |
-0.23 |
0 |
|
|
74806 |
48422513 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-70.8 |
4.57 |
-8.9 |
-0.15 |
0 |
|
|
74807 |
48422516 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-106.34 |
1.72 |
-8.64 |
0.01 |
0 |
|
|
74808 |
48422518 |
1 |
N2O5C19H22 |
A2B5C19D22 |
-164.71 |
1.83 |
-8.16 |
-0.12 |
0 |
|
|
74809 |
48422520 |
1 |
NO2C17H23 |
AB2C17D23 |
-73.19 |
4.73 |
-8.56 |
0.25 |
0 |
|
|
74810 |
48422521 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-102.61 |
5.5 |
-8.88 |
-0.14 |
0 |
|
|
74811 |
48422524 |
1 |
NO2C13H23 |
AB2C13D23 |
-92.06 |
4.1 |
-9.13 |
1.07 |
0 |
|
|
74812 |
48422528 |
1 |
NO3C15H21 |
AB3C15D21 |
-95.58 |
5.01 |
-8.48 |
0.06 |
0 |
|
|
74813 |
48422529 |
1 |
NSO2C20H23 |
ABC2D20E23 |
-25.17 |
2.76 |
-9.07 |
-0.17 |
0 |
|
|
74814 |
48422531 |
1 |
NSO2C15H21 |
ABC2D15E21 |
-33.4 |
2.02 |
-9.18 |
-0.28 |
0 |
|
|
74815 |
48422532 |
1 |
NF3O3C17H22 |
AB3C3D17E22 |
-267.16 |
8.47 |
-8.82 |
-0.41 |
0 |
|
|
74816 |
48422533 |
1 |
NF3O4C17H22 |
AB3C4D17E22 |
-295.01 |
4.39 |
-9.36 |
-0.49 |
0 |
|
|
74817 |
48422535 |
1 |
NO2C17H23 |
AB2C17D23 |
-67.1 |
2.84 |
-8.42 |
0.33 |
0 |
|
|
74818 |
48422536 |
1 |
ClNSO2C14H20 |
ABCD2E14F20 |
-55.61 |
3.8 |
-9.32 |
-0.52 |
0 |
|
|
74819 |
48422538 |
1 |
ClFNO2C17H21 |
ABCD2E17F21 |
-89.68 |
2.56 |
-9.41 |
-0.52 |
0 |
|
|
74820 |
48422539 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-177.69 |
4.09 |
-9.53 |
-0.08 |
0 |
|
|
74821 |
48422540 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-145.86 |
3.83 |
-9.3 |
0.78 |
0 |
|
|
74822 |
48422541 |
1 |
NO2C14H25 |
AB2C14D25 |
-97.16 |
3.43 |
-9.13 |
1.08 |
0 |
|
|
74823 |
48422542 |
1 |
N3O4C19H21 |
A3B4C19D21 |
-113.92 |
2.19 |
-9.03 |
-0.32 |
0 |
|
|
74824 |
48422543 |
1 |
N3O5C20H23 |
A3B5C20D23 |
-154.4 |
4.05 |
-9.39 |
-0.5 |
0 |
|
|
74825 |
48422545 |
1 |
NO4C17H23 |
AB4C17D23 |
-140.5 |
2.4 |
-9.55 |
0.17 |
0 |
|
|
74826 |
48422547 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-162.37 |
2.05 |
-8.29 |
-0.14 |
0 |
|
|
74827 |
48422548 |
1 |
NO2C12H23 |
AB2C12D23 |
-101.7 |
3.19 |
-9.66 |
1.07 |
0 |
|
|
74828 |
48422549 |
1 |
N3O5C16H17 |
A3B5C16D17 |
-132.06 |
2.04 |
-9.47 |
-0.78 |
0 |
|
|
74829 |
48422550 |
2 |
NO2C6H8 |
AB2C6D8 |
-97.84 |
1.17 |
-9.14 |
-0.71 |
0 |
|
|
74830 |
48422555 |
1 |
BrNO3C16H22 |
ABC3D16E22 |
-93.66 |
5.35 |
-8.95 |
-0.17 |
0 |
|
|
74831 |
48422556 |
1 |
NF2O4C17H23 |
AB2C4D17E23 |
-233.96 |
7.06 |
-9.17 |
-0.32 |
0 |
|
|
74832 |
48422558 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-58.44 |
3.69 |
-8.64 |
-0.38 |
0 |
|
|
74833 |
48422559 |
1 |
NO2C15H21 |
AB2C15D21 |
-71.42 |
3.87 |
-8.51 |
0.23 |
0 |
|
|
74834 |
48422560 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-125.79 |
5.74 |
-9.47 |
0.1 |
0 |
|
|
74835 |
48422563 |
1 |
NO2C13H23 |
AB2C13D23 |
-87.39 |
4.81 |
-9.3 |
0.86 |
0 |
|
|
74836 |
48422566 |
1 |
NO4C14H17 |
AB4C14D17 |
-119.33 |
4.17 |
-8.38 |
-0.12 |
0 |
|
|
74837 |
48422567 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-92.15 |
3.96 |
-8.71 |
-0.46 |
0 |
|
|
74838 |
48422568 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-99.08 |
2.31 |
-9.44 |
0.08 |
0 |
|
|
74839 |
48422570 |
1 |
ClN2O3C18H19 |
AB2C3D18E19 |
-100.86 |
2.31 |
-9.62 |
-0.44 |
0 |
|
|
74840 |
48422572 |
1 |
F2N2O5C19H20 |
A2B2C5D19E20 |
-267.05 |
4.9 |
-8.56 |
-0.41 |
0 |
|
|
74841 |
48422573 |
1 |
N3O5C18H21 |
A3B5C18D21 |
-163.7 |
6.43 |
-9.63 |
-0.36 |
0 |
|
|
74842 |
48422574 |
1 |
NF2O2C15H19 |
AB2C2D15E19 |
-146.04 |
3.09 |
-9.57 |
-0.42 |
0 |
|
|
74843 |
48422576 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-213.73 |
3.26 |
-9.61 |
-0.8 |
0 |
|
|
74844 |
48422577 |
2 |
NO2C7H10 |
AB2C7D10 |
-127.76 |
0.88 |
-9.66 |
-0.46 |
0 |
|
|
74845 |
48422578 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-171.58 |
5.26 |
-9.48 |
-0.06 |
0 |
|
|
74846 |
48422581 |
1 |
NF2O4C15H19 |
AB2C4D15E19 |
-238.25 |
6.14 |
-8.94 |
-0.41 |
0 |
|
|
74847 |
48422582 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-250.89 |
2.66 |
-9.54 |
-0.63 |
0 |
|
|
74848 |
48422583 |
1 |
NO4C20H27 |
AB4C20D27 |
-145.72 |
3.93 |
-9.42 |
-0.01 |
0 |
|
|
74849 |
48422584 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-109.59 |
3.57 |
-9.53 |
-0.15 |
0 |
|
|
74850 |
48422586 |
1 |
NO4C17H23 |
AB4C17D23 |
-125.91 |
2.78 |
-8.82 |
-0.14 |
0 |
|
|
74851 |
48422588 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-173.68 |
2.39 |
-9.4 |
0.13 |
0 |