List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
197695 |
78987290 |
1 |
ON3C15H23 |
AB3C15D23 |
-2.46 |
3.47 |
-8.4 |
-0.23 |
0 |
|
|
197696 |
78987291 |
1 |
SN5C11H21 |
AB5C11D21 |
74.21 |
2.67 |
-8.78 |
-1.13 |
0 |
|
|
197697 |
78987292 |
2 |
N2C7H12 |
A2B7C12 |
49.61 |
4.69 |
-8.73 |
-0.06 |
0 |
|
|
197698 |
78987673 |
1 |
BrNO2C15H22 |
ABC2D15E22 |
-86.19 |
1.13 |
-9.28 |
-0.7 |
0 |
|
|
197699 |
78987674 |
1 |
BrNSO2H14C15 |
ABCD2E14F15 |
-31.99 |
4.0 |
-8.82 |
-0.9 |
0 |
|
|
197700 |
78988191 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-53.45 |
4.6 |
-9.55 |
-0.69 |
0 |
|
|
197701 |
78988425 |
1 |
N2F3H11C15 |
A2B3C11D15 |
-73.61 |
4.1 |
-9.21 |
-0.81 |
0 |
|
|
197702 |
78988564 |
1 |
BrNO2C11H12 |
ABC2D11E12 |
-42.29 |
4.87 |
-9.58 |
-0.76 |
0 |
|
|
197703 |
78988565 |
1 |
BrO2N3C14H16 |
AB2C3D14E16 |
-21.38 |
4.92 |
-9.28 |
-0.79 |
0 |
|
|
197704 |
78988584 |
1 |
BrO2N3C13H14 |
AB2C3D13E14 |
-18.1 |
2.09 |
-8.51 |
-0.85 |
0 |
|
|
197705 |
78988585 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-111.51 |
5.54 |
-9.19 |
-0.35 |
0 |
|
|
197706 |
78988586 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-114.15 |
3.9 |
-9.53 |
-0.71 |
0 |
|
|
197707 |
78988587 |
1 |
BrNO3C15H22 |
ABC3D15E22 |
-123.45 |
4.61 |
-9.48 |
-0.69 |
0 |
|
|
197708 |
78988588 |
1 |
ON3C10H15 |
AB3C10D15 |
-30.58 |
2.66 |
-9.56 |
-0.07 |
0 |
|
|
197709 |
78988589 |
1 |
BrNO3C14H18 |
ABC3D14E18 |
-124.63 |
4.03 |
-9.6 |
-0.79 |
0 |
|
|
197710 |
78988590 |
1 |
BrN2O3C13H17 |
AB2C3D13E17 |
-95.47 |
7.4 |
-9.28 |
-0.44 |
0 |
|
|
197711 |
78988591 |
1 |
BrN2O2C15H15 |
AB2C2D15E15 |
-28.85 |
4.32 |
-9.6 |
-0.84 |
0 |
|
|
197712 |
78988592 |
1 |
BrO2N3C13H14 |
AB2C3D13E14 |
-17.75 |
4.9 |
-9.44 |
-0.94 |
0 |
|
|
197713 |
78988593 |
1 |
BrO2N3H10C11 |
AB2C3D10E11 |
-9.93 |
3.28 |
-8.72 |
-0.94 |
0 |
|
|
197714 |
78988594 |
1 |
FON3C14H18 |
ABC3D14E18 |
-61.63 |
4.25 |
-8.86 |
-0.93 |
0 |
|
|
197715 |
78988595 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-115.31 |
4.54 |
-9.37 |
-0.55 |
0 |
|
|
197716 |
78988596 |
1 |
NO4C12H19 |
AB4C12D19 |
-184.33 |
5.49 |
-9.69 |
0.18 |
0 |
|
|
197717 |
78988597 |
1 |
BrNO3C14H20 |
ABC3D14E20 |
-115.69 |
2.77 |
-9.39 |
-0.55 |
0 |
|
|
197718 |
78988598 |
1 |
BrNO2C15H20 |
ABC2D15E20 |
-73.27 |
4.65 |
-9.25 |
-0.55 |
0 |
|
|
197719 |
78988599 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-83.54 |
5.69 |
-9.18 |
-0.48 |
0 |
|
|
197720 |
78988751 |
1 |
N5C11H19 |
A5B11C19 |
34.94 |
2.72 |
-8.42 |
0.01 |
0 |
|
|
197721 |
78989088 |
1 |
NOC13H17 |
ABC13D17 |
-29.67 |
3.57 |
-9.25 |
0.24 |
0 |
|
|
197722 |
78989249 |
1 |
NSO2C11H21 |
ABC2D11E21 |
-113.09 |
4.18 |
-9.43 |
0.58 |
0 |
|
|
197723 |
78989396 |
1 |
SN3O4C7H11 |
AB3C4D7E11 |
-136.85 |
8.72 |
-10.1 |
-0.42 |
0 |
|
|
197724 |
78989408 |
1 |
ON2C16H32 |
AB2C16D32 |
-51.58 |
1.77 |
-8.52 |
2.48 |
0 |
|
|
197725 |
78989409 |
1 |
NO3C15H27 |
AB3C15D27 |
-142.11 |
7.31 |
-9.7 |
1.11 |
0 |
|
|
197726 |
78989410 |
1 |
NO2C12H17 |
AB2C12D17 |
-82.69 |
2.5 |
-9.35 |
0.22 |
0 |
|
|
197727 |
78989411 |
1 |
ON2C15H30 |
AB2C15D30 |
-54.03 |
1.74 |
-8.51 |
2.44 |
0 |
|
|
197728 |
78989412 |
1 |
N2C13H18 |
A2B13C18 |
24.69 |
2.73 |
-7.97 |
0.71 |
0 |
|
|
197729 |
78989413 |
1 |
NO2C10H19 |
AB2C10D19 |
-120.35 |
2.25 |
-9.77 |
0.64 |
0 |
|
|
197730 |
78989414 |
1 |
NO3C9H17 |
AB3C9D17 |
-150.85 |
0.67 |
-9.8 |
0.48 |
0 |
|
|
197731 |
78989415 |
1 |
NO3C12H23 |
AB3C12D23 |
-166.27 |
2.61 |
-9.73 |
0.48 |
0 |
|
|
197732 |
78989416 |
1 |
NO2C13H25 |
AB2C13D25 |
-135.44 |
2.38 |
-9.79 |
0.86 |
0 |
|
|
197733 |
78989417 |
1 |
ON2C7H14 |
AB2C7D14 |
-43.08 |
2.71 |
-9.36 |
1.04 |
0 |
|
|
197734 |
78989418 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-144.31 |
7.05 |
-9.85 |
0.2 |
0 |
|
|
197735 |
78989421 |
1 |
BrNS2C12H14 |
ABC2D12E14 |
55.32 |
2.25 |
-9.12 |
-0.46 |
0 |
|
|
197736 |
78989954 |
1 |
ON4C13H20 |
AB4C13D20 |
-25.86 |
1.98 |
-8.52 |
0.29 |
0 |
|
|
197737 |
78989955 |
1 |
ON4C12H24 |
AB4C12D24 |
-70.58 |
2.39 |
-8.99 |
1.01 |
0 |
|
|
197738 |
78989981 |
1 |
ON2C14H28 |
AB2C14D28 |
-54.62 |
1.81 |
-8.76 |
2.13 |
0 |
|
|
197739 |
78990668 |
1 |
N5C13H15 |
A5B13C15 |
83.59 |
7.95 |
-8.81 |
-0.41 |
0 |
|
|
197740 |
78990669 |
1 |
ClON3C14H16 |
ABC3D14E16 |
0.44 |
5.52 |
-8.99 |
-0.69 |
0 |
|
|
197741 |
78990670 |
1 |
ON2C15H16 |
AB2C15D16 |
52.98 |
7.72 |
-9.74 |
-0.55 |
0 |
|
|
197742 |
78990671 |
1 |
N7C13H17 |
A7B13C17 |
100.4 |
2.14 |
-8.91 |
-0.39 |
0 |
|
|
197743 |
78990811 |
1 |
O2N3C11H11 |
A2B3C11D11 |
-25.23 |
3.66 |
-8.67 |
-0.27 |
0 |
|
|
197744 |
78990931 |
1 |
NO2C15H21 |
AB2C15D21 |
-87.3 |
4.59 |
-9.04 |
0.05 |
0 |