List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
2523 |
7823 |
1 |
O3C6H14 |
A3B6C14 |
-157.79 |
4.2 |
-10.37 |
2.02 |
0 |
|
|
2524 |
7824 |
1 |
O2C7H14 |
A2B7C14 |
-116.53 |
1.84 |
-10.9 |
0.8 |
0 |
|
|
2525 |
7825 |
1 |
NO2C6H7 |
AB2C6D7 |
-44.43 |
5.0 |
-11.37 |
-0.71 |
0 |
|
|
2526 |
7826 |
2 |
OC4H8 |
AB4C8 |
-120.8 |
1.94 |
-10.85 |
0.83 |
0 |
|
|
2527 |
7829 |
2 |
O2C6H11 |
A2B6C11 |
-215.47 |
3.07 |
-10.86 |
0.77 |
0 |
|
|
2528 |
7830 |
1 |
O3C22H42 |
A3B22C42 |
-191.0 |
2.86 |
-9.88 |
0.86 |
0 |
|
|
2529 |
7832 |
1 |
OC8H12 |
AB8C12 |
24.64 |
3.12 |
-9.96 |
0.85 |
0 |
|
|
2530 |
7836 |
1 |
O3C6H8 |
A3B6C8 |
-78.25 |
1.83 |
-10.4 |
-0.54 |
0 |
|
|
2531 |
7840 |
1 |
BrC3H7 |
AB3C7 |
-18.2 |
2.14 |
-10.48 |
-0.02 |
0 |
|
|
2532 |
7841 |
1 |
BrC3H5 |
AB3C5 |
9.94 |
1.73 |
-10.38 |
-0.41 |
0 |
|
|
2533 |
7842 |
1 |
BrC3H3 |
AB3C3 |
51.72 |
1.52 |
-10.66 |
-0.65 |
0 |
|
|
2534 |
7844 |
4 |
CH2 |
AB2 |
1.3 |
0.56 |
-10.07 |
1.31 |
0 |
|
|
2535 |
7845 |
2 |
C2H3 |
A2B3 |
28.46 |
0.0 |
-9.58 |
0.25 |
0 |
|
|
2536 |
7846 |
2 |
C2H3 |
A2B3 |
41.16 |
1.1 |
-10.62 |
1.83 |
0 |
|
|
2537 |
7847 |
1 |
OC3H4 |
AB3C4 |
-11.8 |
3.51 |
-10.22 |
-0.56 |
0 |
|
|
2538 |
7849 |
1 |
BrClC2H4 |
ABC2D4 |
-19.3 |
0.35 |
-10.9 |
-0.7 |
0 |
|
|
2539 |
7850 |
1 |
ClC3H5 |
AB3C5 |
-0.06 |
2.01 |
-10.51 |
0.24 |
0 |
|
|
2540 |
7851 |
1 |
BrNC2H6 |
ABC2D6 |
-5.02 |
2.29 |
-9.87 |
-0.1 |
0 |
|
|
2541 |
7853 |
1 |
NC3H7 |
AB3C7 |
14.22 |
1.84 |
-9.51 |
1.11 |
0 |
|
|
2542 |
7855 |
1 |
NC3H3 |
AB3C3 |
45.99 |
3.63 |
-11.24 |
-0.37 |
0 |
|
|
2543 |
7857 |
1 |
NOC2H3 |
ABC2D3 |
-14.23 |
2.64 |
-11.47 |
0.52 |
0 |
|
|
2544 |
7859 |
1 |
OC3H4 |
AB3C4 |
8.47 |
1.76 |
-10.7 |
1.0 |
0 |
|
|
2545 |
7860 |
2 |
CHO |
ABC |
-45.85 |
0.0 |
-10.09 |
-1.37 |
0 |
|
|
2546 |
7885 |
1 |
SiCl3C5H11 |
AB3C5D11 |
-146.42 |
1.9 |
-10.53 |
-0.6 |
0 |
|
|
2547 |
7886 |
1 |
ClNPO4C5H15 |
ABCD4E5F15 |
-279.91 |
13.24 |
-10.4 |
-0.5 |
0 |
|
|
2548 |
7887 |
2 |
OC5H11 |
AB5C11 |
-137.83 |
2.14 |
-10.2 |
2.28 |
0 |
|
|
2549 |
7890 |
1 |
BrC5H11 |
AB5C11 |
-31.48 |
2.55 |
-10.33 |
0.08 |
0 |
|
|
2550 |
7896 |
2 |
OC2H5 |
AB2C5 |
-110.55 |
0.55 |
-10.46 |
2.52 |
0 |
|
|
2551 |
7901 |
1 |
ClNC4H10 |
ABC4D10 |
-17.29 |
2.76 |
-9.06 |
0.87 |
0 |
|
|
2552 |
7903 |
1 |
NO2C3H7 |
AB2C3D7 |
-26.69 |
4.41 |
-11.13 |
-0.5 |
0 |
|
|
2553 |
7904 |
2 |
OC2H3 |
AB2C3 |
-75.27 |
1.95 |
-10.11 |
0.23 |
0 |
|
|
2554 |
7906 |
1 |
CHgH3 |
ABC3 |
27.66 |
2.05 |
0.0 |
0.0 |
0 |
|
|
2555 |
7907 |
1 |
C7H16 |
A7B16 |
-42.53 |
0.09 |
-10.9 |
4.19 |
0 |
|
|
2556 |
7908 |
1 |
NC6H15 |
AB6C15 |
-33.31 |
1.85 |
-9.31 |
3.6 |
0 |
|
|
2557 |
7910 |
1 |
OC6H14 |
AB6C14 |
-82.35 |
2.09 |
-10.39 |
2.96 |
0 |
|
|
2558 |
7911 |
1 |
N2O2C3H6 |
A2B2C3D6 |
-97.12 |
3.02 |
-10.57 |
0.44 |
0 |
|
|
2559 |
7912 |
1 |
NC6H15 |
AB6C15 |
-30.45 |
1.37 |
-8.73 |
3.16 |
0 |
|
|
2560 |
7915 |
1 |
O2C5H10 |
A2B5C10 |
-113.7 |
2.25 |
-10.89 |
0.92 |
0 |
|
|
2561 |
7917 |
1 |
ClO2C4H7 |
AB2C4D7 |
-110.45 |
3.53 |
-11.51 |
-0.57 |
0 |
|
|
2562 |
7922 |
1 |
O3C4H4 |
A3B4C4 |
-123.71 |
5.38 |
-11.45 |
-0.38 |
0 |
|
|
2563 |
7927 |
2 |
BrH2C3 |
AB2C3 |
28.27 |
1.57 |
-9.84 |
-0.57 |
0 |
|
|
2564 |
7929 |
2 |
C4H5 |
A4B5 |
3.99 |
0.61 |
-9.05 |
0.58 |
0 |
|
|
2565 |
7931 |
1 |
ClC7H7 |
AB7C7 |
3.3 |
2.35 |
-9.43 |
0.0 |
0 |
|
|
2566 |
7932 |
1 |
ClNC6H6 |
ABC6D6 |
10.16 |
3.07 |
-8.78 |
0.02 |
0 |
|
|
2567 |
7934 |
1 |
NC7H9 |
AB7C9 |
10.68 |
1.61 |
-8.39 |
0.59 |
0 |
|
|
2568 |
7935 |
2 |
NC3H4 |
AB3C4 |
16.77 |
2.64 |
-8.21 |
0.68 |
0 |
|
|
2569 |
7936 |
1 |
NC7H9 |
AB7C9 |
12.32 |
2.58 |
-9.68 |
0.13 |
0 |
|
|
2570 |
7940 |
1 |
O3C5H6 |
A3B5C6 |
-130.1 |
6.52 |
-11.26 |
-0.22 |
0 |
|
|
2571 |
7941 |
10 |
CH |
AB |
51.76 |
0.08 |
-9.08 |
-0.12 |
0 |
|
|
2572 |
7942 |
2 |
O2C5H5 |
A2B5C5 |
-152.27 |
3.99 |
-9.37 |
-0.15 |
0 |
|
|
2573 |
7943 |
1 |
O4C5H8 |
A4B5C8 |
-176.39 |
2.64 |
-11.33 |
0.22 |
0 |
|
|
2574 |
7944 |
1 |
OCl2C6H12 |
AB2C6D12 |
-87.2 |
3.33 |
-10.28 |
0.58 |
0 |
|
|
2575 |
7949 |
1 |
NC8H11 |
AB8C11 |
-0.14 |
1.34 |
-8.34 |
0.74 |
0 |
|
|
2576 |
7951 |
1 |
N2C7H10 |
A2B7C10 |
5.41 |
0.47 |
-8.22 |
0.84 |
0 |
|
|
2577 |
7954 |
3 |
CClN |
ABC |
50.87 |
0.0 |
-11.45 |
-1.76 |
0 |
|
|
2578 |
7961 |
1 |
BrH5C6 |
AB5C6 |
25.65 |
1.78 |
-9.65 |
-0.15 |
0 |
|
|
2579 |
7962 |
7 |
CH2 |
AB2 |
-32.71 |
0.05 |
-10.61 |
4.25 |
0 |
|
|
2580 |
7969 |
1 |
SC6H6 |
AB6C6 |
24.09 |
1.45 |
-8.72 |
-0.02 |
0 |
|
|
2581 |
7970 |
1 |
NC6H7 |
AB6C7 |
24.4 |
2.83 |
-9.7 |
-0.03 |
0 |
|
|
2582 |
7971 |
1 |
NOC5H5 |
ABC5D5 |
-8.55 |
3.53 |
-9.46 |
-0.32 |
0 |
|
|
2583 |
7972 |
1 |
NOC5H11 |
ABC5D11 |
-45.03 |
1.76 |
-8.69 |
2.14 |
0 |
|
|
2584 |
7973 |
1 |
BrNH4C5 |
ABC4D5 |
28.06 |
3.25 |
-9.99 |
-0.59 |
0 |
|
|
2585 |
7975 |
1 |
NC6H7 |
AB6C7 |
23.35 |
1.86 |
-9.73 |
0.01 |
0 |
|
|
2586 |
7977 |
1 |
ClNH4C5 |
ABC4D5 |
26.54 |
3.38 |
-9.98 |
-0.57 |
0 |
|
|
2587 |
7978 |
1 |
N3C4H5 |
A3B4C5 |
41.25 |
0.52 |
-9.29 |
-0.18 |
0 |
|
|
2588 |
7979 |
2 |
O3C7H11 |
A3B7C11 |
-240.82 |
2.57 |
-9.87 |
-0.2 |
0 |
|
|
2589 |
7984 |
2 |
OC8H15 |
AB8C15 |
-153.53 |
2.25 |
-10.63 |
0.85 |
0 |
|
|
2590 |
7987 |
2 |
O3C7H13 |
A3B7C13 |
-294.52 |
5.32 |
-9.81 |
0.5 |
0 |
|
|
2591 |
7989 |
1 |
OC6H10 |
AB6C10 |
-40.46 |
3.25 |
-10.1 |
0.67 |
0 |
|
|
2592 |
7990 |
1 |
OC6H10 |
AB6C10 |
-16.49 |
2.76 |
-10.32 |
1.34 |
0 |
|
|
2593 |
7991 |
1 |
O2C5H10 |
A2B5C10 |
-108.79 |
4.76 |
-11.07 |
0.62 |
0 |
|
|
2594 |
8002 |
1 |
BrC4H9 |
AB4C9 |
-23.11 |
2.14 |
-10.48 |
-0.03 |
0 |
|
|
2595 |
8004 |
5 |
CH2 |
AB2 |
-3.86 |
0.59 |
-10.05 |
1.3 |
0 |
|
|
2596 |
8005 |
1 |
ClC4H9 |
AB4C9 |
-33.85 |
2.36 |
-10.61 |
0.89 |
0 |
|
|
2597 |
8010 |
1 |
H2N2C3 |
A2B2C3 |
59.86 |
3.71 |
-13.11 |
0.36 |
0 |
|
|
2598 |
8011 |
1 |
NOC3H5 |
ABC3D5 |
-23.28 |
2.76 |
-11.21 |
0.98 |
0 |
|
|
2599 |
8014 |
1 |
N2C3H10 |
A2B3C10 |
-1.46 |
0.34 |
-9.01 |
3.05 |
0 |
|
|
2600 |
8019 |
1 |
O2C3H8 |
A2B3C8 |
-92.56 |
2.45 |
-10.01 |
1.9 |
0 |
|
|
2601 |
8026 |
1 |
NC2O2H5 |
AB2C2D5 |
-23.66 |
2.87 |
-10.06 |
-0.54 |
0 |
|
|
2602 |
8030 |
1 |
SC4H4 |
AB4C4 |
30.6 |
0.5 |
-9.05 |
-0.1 |
0 |
|
|
2603 |
8032 |
2 |
CSH3O3 |
ABC3D3 |
-256.1 |
4.84 |
-11.97 |
-0.53 |
0 |
|
|
2604 |
8033 |
2 |
OC4H9 |
AB4C9 |
-69.24 |
1.09 |
-8.88 |
0.69 |
0 |
|
|
2605 |
8036 |
2 |
NOC2H4 |
ABC2D4 |
-103.33 |
4.98 |
-10.25 |
0.58 |
0 |
|
|
2606 |
8062 |
2 |
NC2H2 |
AB2C2 |
50.88 |
0.01 |
-12.75 |
0.54 |
0 |
|
|
2607 |
8064 |
2 |
OC2H5 |
AB2C5 |
-107.25 |
2.41 |
-10.51 |
2.68 |
0 |
|
|
2608 |
8065 |
2 |
OC2H4 |
AB2C4 |
-82.57 |
1.43 |
-10.33 |
0.46 |
0 |
|
|
2609 |
8066 |
2 |
OC2H3 |
AB2C3 |
-39.97 |
0.27 |
-10.73 |
0.73 |
0 |
|
|
2610 |
8068 |
1 |
NC5H13 |
AB5C13 |
-18.97 |
1.69 |
-8.9 |
3.08 |
0 |
|
|
2611 |
8069 |
1 |
NOC4H9 |
ABC4D9 |
-16.85 |
1.22 |
-9.97 |
0.78 |
0 |
|
|
2612 |
8070 |
2 |
NC2H6 |
AB2C6 |
-2.02 |
0.04 |
-9.01 |
2.68 |
0 |
|
|
2613 |
8071 |
2 |
OC2H5 |
AB2C5 |
-87.04 |
0.03 |
-9.86 |
1.56 |
0 |
|
|
2614 |
8072 |
1 |
NOC4H11 |
ABC4D11 |
-56.25 |
3.54 |
-9.24 |
2.64 |
0 |
|
|
2615 |
8073 |
2 |
OC2H4 |
AB2C4 |
-97.32 |
1.73 |
-11.06 |
0.5 |
0 |
|
|
2616 |
8074 |
1 |
ClOC4H7 |
ABC4D7 |
-41.61 |
1.02 |
-9.67 |
0.31 |
0 |
|
|
2617 |
8075 |
1 |
OSC4H10 |
ABC4D10 |
-60.13 |
2.93 |
-8.83 |
0.53 |
0 |
|
|
2618 |
8076 |
2 |
OC2H5 |
AB2C5 |
-98.85 |
2.85 |
-10.0 |
1.86 |
0 |
|
|
2619 |
8077 |
2 |
SC2H5 |
AB2C5 |
-19.32 |
2.39 |
-8.79 |
-0.81 |
0 |
|
|
2620 |
8078 |
6 |
CH2 |
AB2 |
-27.51 |
0.0 |
-10.78 |
4.24 |
0 |
|
|
2621 |
8079 |
2 |
C3H5 |
A3B5 |
-4.02 |
0.37 |
-9.4 |
1.52 |
0 |
|
|
2622 |
8080 |
1 |
OC5H8 |
AB5C8 |
-36.81 |
1.48 |
-8.91 |
1.32 |
0 |