List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
300633 |
123046582 |
1 |
NO7C32H35 |
AB7C32D35 |
-200.57 |
7.54 |
-8.54 |
-0.81 |
0 |
|
|
300634 |
123046598 |
2 |
NO3C15H16 |
AB3C15D16 |
-144.91 |
7.25 |
-7.79 |
-0.86 |
0 |
|
|
300635 |
123046613 |
1 |
NO8C31H31 |
AB8C31D31 |
-239.06 |
6.25 |
-8.67 |
-1.12 |
0 |
|
|
300636 |
123046632 |
1 |
NF2O6H25C28 |
AB2C6D25E28 |
-236.33 |
6.78 |
-8.57 |
-1.02 |
0 |
|
|
300637 |
123046633 |
1 |
N2O7C30H30 |
A2B7C30D30 |
-196.88 |
9.66 |
-8.63 |
-0.96 |
0 |
|
|
300638 |
123050371 |
1 |
NCl2O3H21C26 |
AB2C3D21E26 |
-55.64 |
6.52 |
-9.12 |
-1.08 |
0 |
|
|
300639 |
123050375 |
2 |
ClNO2H10C13 |
ABC2D10E13 |
-90.04 |
5.4 |
-8.36 |
-0.92 |
0 |
|
|
300640 |
123050466 |
1 |
N2O8H22C27 |
A2B8C22D27 |
-171.67 |
5.01 |
-8.9 |
-1.72 |
0 |
|
|
300641 |
123050487 |
1 |
N2O7H24C27 |
A2B7C24D27 |
-133.33 |
7.8 |
-8.33 |
-1.74 |
0 |
|
|
300642 |
123050490 |
1 |
N2O7H20C25 |
A2B7C20D25 |
-114.24 |
12.12 |
-8.78 |
-1.53 |
0 |
|
|
300643 |
123050493 |
1 |
ClN2O7H17C24 |
AB2C7D17E24 |
-129.36 |
6.93 |
-8.99 |
-1.85 |
0 |
|
|
300644 |
123050495 |
1 |
N2O7H20C25 |
A2B7C20D25 |
-129.18 |
7.64 |
-8.78 |
-1.84 |
0 |
|
|
300645 |
123050523 |
1 |
BrNO3H22C26 |
ABC3D22E26 |
-37.64 |
8.45 |
-9.02 |
-1.12 |
0 |
|
|
300646 |
123050569 |
1 |
BrNO5H22C26 |
ABC5D22E26 |
-97.41 |
7.42 |
-8.01 |
-1.13 |
0 |
|
|
300647 |
123050584 |
1 |
BrNF3O3H17C25 |
ABC3D3E17F25 |
-185.46 |
7.77 |
-9.2 |
-1.25 |
0 |
|
|
300648 |
123050617 |
1 |
NO5H27C29 |
AB5C27D29 |
-131.67 |
6.24 |
-8.47 |
-0.99 |
0 |
|
|
300649 |
123050619 |
1 |
NO7H23C28 |
AB7C23D28 |
-185.57 |
4.97 |
-8.23 |
-0.93 |
0 |
|
|
300650 |
123050620 |
1 |
NO7H21C27 |
AB7C21D27 |
-176.31 |
6.49 |
-8.34 |
-1.01 |
0 |
|
|
300651 |
123050633 |
1 |
NO7H25C29 |
AB7C25D29 |
-207.97 |
6.97 |
-9.13 |
-1.24 |
0 |
|
|
300652 |
123050634 |
1 |
NO7H27C30 |
AB7C27D30 |
-215.33 |
6.66 |
-9.01 |
-1.14 |
0 |
|
|
300653 |
123050636 |
1 |
NO7H25C29 |
AB7C25D29 |
-204.83 |
7.22 |
-8.98 |
-1.17 |
0 |
|
|
300654 |
123050642 |
1 |
ClNO5H22C27 |
ABC5D22E27 |
-129.99 |
6.5 |
-9.02 |
-1.05 |
0 |
|
|
300655 |
123050643 |
1 |
NO6H25C28 |
AB6C25D28 |
-159.21 |
4.28 |
-8.24 |
-1.0 |
0 |
|
|
300656 |
123050644 |
1 |
NO7H27C30 |
AB7C27D30 |
-212.45 |
8.66 |
-9.13 |
-1.28 |
0 |
|
|
300657 |
123050651 |
1 |
NO5H23C30 |
AB5C23D30 |
-92.73 |
6.71 |
-8.8 |
-1.0 |
0 |
|
|
300658 |
123050652 |
1 |
NO6H27C29 |
AB6C27D29 |
-164.16 |
6.89 |
-8.51 |
-0.94 |
0 |
|
|
300659 |
123050676 |
1 |
NO6H29C30 |
AB6C29D30 |
-167.54 |
12.83 |
-8.11 |
-0.77 |
0 |
|
|
300660 |
123050685 |
1 |
NO7H23C28 |
AB7C23D28 |
-197.15 |
10.07 |
-9.05 |
-1.0 |
0 |
|
|
300661 |
123050704 |
1 |
NO5H23C30 |
AB5C23D30 |
-93.37 |
8.94 |
-8.79 |
-0.87 |
0 |
|
|
300662 |
123050705 |
1 |
NO6H27C29 |
AB6C27D29 |
-167.91 |
9.22 |
-8.59 |
-0.82 |
0 |
|
|
300663 |
123050707 |
1 |
ClNO5H22C27 |
ABC5D22E27 |
-131.15 |
9.36 |
-8.94 |
-0.99 |
0 |
|
|
300664 |
123050712 |
1 |
NF2O5H19C26 |
AB2C5D19E26 |
-204.19 |
9.3 |
-9.13 |
-1.09 |
0 |
|
|
300665 |
123050719 |
1 |
NO6H29C30 |
AB6C29D30 |
-164.32 |
11.09 |
-8.34 |
-0.69 |
0 |
|
|
300666 |
123050731 |
1 |
NO6H27C29 |
AB6C27D29 |
-165.88 |
9.37 |
-8.59 |
-0.98 |
0 |
|
|
300667 |
123050734 |
1 |
NO7H23C27 |
AB7C23D27 |
-188.85 |
12.0 |
-8.35 |
-0.65 |
0 |
|
|
300668 |
123050741 |
1 |
NO6H27C29 |
AB6C27D29 |
-163.81 |
7.47 |
-8.84 |
-0.79 |
0 |
|
|
300669 |
123050742 |
1 |
NO8H25C29 |
AB8C25D29 |
-239.73 |
8.4 |
-8.96 |
-0.96 |
0 |
|
|
300670 |
123050744 |
1 |
ClNO6H22C27 |
ABC6D22E27 |
-156.17 |
12.97 |
-8.8 |
-0.86 |
0 |
|
|
300671 |
123050746 |
1 |
NO7H29C30 |
AB7C29D30 |
-200.54 |
12.39 |
-7.99 |
-0.68 |
0 |
|
|
300672 |
123050747 |
1 |
NO6H25C31 |
AB6C25D31 |
-129.03 |
8.66 |
-8.72 |
-0.85 |
0 |
|
|
300673 |
123050756 |
2 |
NO3H11C14 |
AB3C11D14 |
-115.38 |
13.18 |
-8.94 |
-1.03 |
0 |
|
|
300674 |
123050767 |
1 |
N2O5C30H30 |
A2B5C30D30 |
-108.19 |
8.85 |
-7.72 |
-0.77 |
0 |
|
|
300675 |
123050769 |
1 |
N2O5H28C29 |
A2B5C28D29 |
-104.17 |
8.74 |
-7.86 |
-0.77 |
0 |
|
|
300676 |
123050772 |
1 |
NO7H23C27 |
AB7C23D27 |
-175.78 |
7.08 |
-8.25 |
-0.93 |
0 |
|
|
300677 |
123050775 |
1 |
NO7C29H29 |
AB7C29D29 |
-191.99 |
6.22 |
-7.92 |
-1.05 |
0 |
|
|
300678 |
123050778 |
1 |
ClFNO5H19C25 |
ABCD5E19F25 |
-158.51 |
11.03 |
-8.67 |
-1.15 |
0 |
|
|
300679 |
123050782 |
1 |
NO7H25C28 |
AB7C25D28 |
-194.47 |
8.1 |
-8.63 |
-0.82 |
0 |
|
|
300680 |
123050784 |
1 |
NO7H29C30 |
AB7C29D30 |
-209.54 |
8.16 |
-8.54 |
-0.82 |
0 |
|
|
300681 |
123050786 |
1 |
NO7H25C28 |
AB7C25D28 |
-201.86 |
10.85 |
-8.77 |
-1.4 |
0 |
|
|
300682 |
123050788 |
1 |
NO7H23C27 |
AB7C23D27 |
-186.66 |
9.67 |
-8.57 |
-1.05 |
0 |