List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
220733 |
85230800 |
2 |
NO2C5H7 |
AB2C5D7 |
-123.4 |
5.55 |
-10.02 |
-0.58 |
1 |
|
|
220734 |
85230801 |
1 |
N2O4C10H15 |
A2B4C10D15 |
-121.51 |
6.83 |
0.0 |
0.0 |
0 |
|
|
220735 |
85230824 |
1 |
NO4C11H17 |
AB4C11D17 |
-111.2 |
3.32 |
-9.78 |
0.37 |
0 |
|
|
220736 |
85230826 |
1 |
NSO2C11H17 |
ABC2D11E17 |
-84.59 |
3.14 |
-9.48 |
-0.52 |
0 |
|
|
220737 |
85230827 |
1 |
NO2C13H25 |
AB2C13D25 |
-117.82 |
2.64 |
-9.15 |
0.9 |
0 |
|
|
220738 |
85230828 |
2 |
FO2H3C5 |
AB2C3D5 |
-207.86 |
5.69 |
-10.4 |
-1.45 |
0 |
|
|
220739 |
85230829 |
1 |
O2F4C9H12 |
A2B4C9D12 |
-298.58 |
3.41 |
-10.14 |
0.01 |
0 |
|
|
220740 |
85230830 |
2 |
O3C5H6 |
A3B5C6 |
-242.72 |
5.11 |
-10.28 |
-1.01 |
0 |
|
|
220741 |
85230831 |
1 |
N2O5C9H12 |
A2B5C9D12 |
-180.37 |
4.9 |
-9.68 |
-1.07 |
0 |
|
|
220742 |
85230832 |
2 |
NO2C5H8 |
AB2C5D8 |
-179.45 |
3.57 |
-8.97 |
-0.22 |
0 |
|
|
220743 |
85230834 |
1 |
LiON2C13H21 |
ABC2D13E21 |
89.65 |
14.2 |
-5.87 |
-0.01 |
0 |
|
|
220744 |
85230835 |
1 |
SN2O3C9H12 |
AB2C3D9E12 |
-72.73 |
5.07 |
-8.56 |
-0.93 |
0 |
|
|
220745 |
85230836 |
4 |
OC3H5 |
AB3C5 |
-206.89 |
3.6 |
-9.95 |
0.7 |
0 |
|
|
220746 |
85230838 |
1 |
O2C15H20 |
A2B15C20 |
-77.61 |
5.49 |
-9.24 |
-0.53 |
0 |
|
|
220747 |
85230839 |
1 |
O2C15H16 |
A2B15C16 |
-49.76 |
6.74 |
-9.36 |
-0.06 |
0 |
|
|
220748 |
85230840 |
1 |
ON2C14H20 |
AB2C14D20 |
-14.84 |
4.2 |
-8.74 |
0.32 |
0 |
|
|
220749 |
85230841 |
1 |
OSN4C9H16 |
ABC4D9E16 |
-9.01 |
2.29 |
-9.84 |
-1.14 |
0 |
|
|
220750 |
85230845 |
1 |
C17H24 |
A17B24 |
-11.58 |
0.6 |
-8.66 |
1.29 |
0 |
|
|
220751 |
85230863 |
1 |
OC16H22 |
AB16C22 |
-41.77 |
3.52 |
-9.19 |
0.5 |
0 |
|
|
220752 |
85238697 |
1 |
SH8C10 |
AB8C10 |
107.43 |
0.7 |
-9.12 |
-0.5 |
0 |
|
|
220753 |
85238699 |
1 |
NO4C6H11 |
AB4C6D11 |
-139.43 |
1.97 |
-10.05 |
-0.08 |
0 |
|
|
220754 |
85238732 |
2 |
OC5H9 |
AB5C9 |
-104.99 |
2.05 |
-9.83 |
0.71 |
0 |
|
|
220755 |
85238749 |
1 |
O2H10C11 |
A2B10C11 |
-1.54 |
1.27 |
-9.95 |
-0.75 |
0 |
|
|
220756 |
85238796 |
1 |
SO2C9H12 |
AB2C9D12 |
-40.24 |
1.07 |
-9.1 |
-0.51 |
0 |
|
|
220757 |
85238845 |
2 |
OC6H7 |
AB6C7 |
-27.12 |
2.21 |
-9.38 |
-0.25 |
0 |