List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
36000 |
7980624 |
1 |
NO4H21C22 |
AB4C21D22 |
-93.98 |
6.81 |
-8.19 |
-0.37 |
0 |
|
|
36001 |
7980625 |
1 |
NO2C21H25 |
AB2C21D25 |
-63.18 |
4.89 |
-8.44 |
-0.07 |
0 |
|
|
36002 |
7980626 |
1 |
O5H16C21 |
A5B16C21 |
-119.97 |
3.79 |
-9.1 |
-0.89 |
0 |
|
|
36003 |
7980628 |
1 |
NO2C19H19 |
AB2C19D19 |
-15.99 |
5.67 |
-8.35 |
-0.65 |
0 |
|
|
36004 |
7980629 |
1 |
SN2O3H16C21 |
AB2C3D16E21 |
-31.79 |
4.42 |
-8.61 |
-1.35 |
0 |
|
|
36005 |
7980630 |
1 |
NO4H23C24 |
AB4C23D24 |
-80.05 |
7.56 |
-8.24 |
-0.61 |
0 |
|
|
36006 |
7980631 |
1 |
SN2O3H18C22 |
AB2C3D18E22 |
-46.15 |
4.36 |
-8.66 |
-1.35 |
0 |
|
|
36007 |
7980632 |
1 |
SN2O3H18C22 |
AB2C3D18E22 |
-49.45 |
4.87 |
-8.53 |
-1.11 |
0 |
|
|
36008 |
7980633 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-20.47 |
3.81 |
-8.59 |
-1.52 |
0 |
|
|
36009 |
7980634 |
1 |
NO4C26H27 |
AB4C26D27 |
-110.05 |
5.36 |
-8.21 |
-0.68 |
0 |
|
|
36010 |
7980635 |
1 |
NO3C25H27 |
AB3C25D27 |
-91.81 |
4.14 |
-9.09 |
-1.21 |
0 |
|
|
36011 |
7980636 |
1 |
N2O3H22C24 |
A2B3C22D24 |
-57.19 |
6.74 |
-8.34 |
-0.55 |
0 |
|
|
36012 |
7980637 |
1 |
NO2C24H25 |
AB2C24D25 |
-30.66 |
4.66 |
-8.43 |
-0.11 |
0 |
|
|
36013 |
7980638 |
1 |
NO2C24H25 |
AB2C24D25 |
-29.94 |
4.88 |
-8.37 |
-0.09 |
0 |
|
|
36014 |
7980639 |
1 |
SN2O2H20C23 |
AB2C2D20E23 |
3.27 |
4.35 |
-8.47 |
-0.78 |
0 |
|
|
36015 |
7980640 |
1 |
NO4C24H25 |
AB4C24D25 |
-108.04 |
3.52 |
-8.36 |
-0.18 |
0 |
|
|
36016 |
7980641 |
1 |
NO4C24H25 |
AB4C24D25 |
-99.25 |
1.9 |
-8.43 |
-0.1 |
0 |
|
|
36017 |
7980642 |
1 |
NSO3H21C22 |
ABC3D21E22 |
-46.46 |
4.76 |
-8.26 |
-0.67 |
0 |
|
|
36018 |
7980644 |
1 |
FNSO3H20C22 |
ABCD3E20F22 |
-94.53 |
1.89 |
-8.33 |
-0.83 |
0 |
|
|
36019 |
7980645 |
1 |
FNSO3H22C23 |
ABCD3E22F23 |
-100.76 |
4.97 |
-8.32 |
-0.74 |
0 |
|
|
36020 |
7980646 |
1 |
NO3H13C14 |
AB3C13D14 |
-86.46 |
4.27 |
-9.4 |
-1.2 |
0 |
|
|
36021 |
7980647 |
1 |
SN2O4H20C21 |
AB2C4D20E21 |
-84.36 |
6.17 |
-8.3 |
-1.12 |
0 |
|
|
36022 |
7980648 |
1 |
O5H14C20 |
A5B14C20 |
-109.89 |
2.19 |
-9.18 |
-0.93 |
0 |
|
|
36023 |
7980649 |
1 |
N2O5H20C21 |
A2B5C20D21 |
-116.04 |
2.72 |
-8.44 |
-0.5 |
0 |
|
|
36024 |
7980653 |
1 |
NO4C23H25 |
AB4C23D25 |
-118.96 |
5.02 |
-8.74 |
-0.72 |
0 |
|
|
36025 |
7980654 |
1 |
NO4C23H25 |
AB4C23D25 |
-118.56 |
5.65 |
-8.78 |
-0.71 |
0 |
|
|
36026 |
7980657 |
1 |
NO3H21C22 |
AB3C21D22 |
-77.93 |
4.77 |
-8.91 |
-1.23 |
0 |
|
|
36027 |
7980660 |
1 |
F2O3H12C19 |
A2B3C12D19 |
-138.87 |
2.04 |
-9.27 |
-1.05 |
0 |
|
|
36028 |
7980661 |
1 |
NO4H17C21 |
AB4C17D21 |
-99.26 |
3.12 |
-9.13 |
-0.87 |
0 |
|
|
36029 |
7980664 |
1 |
NO4H21C22 |
AB4C21D22 |
-109.13 |
7.21 |
-8.84 |
-1.13 |
0 |
|
|
36030 |
7980665 |
1 |
NO4H21C22 |
AB4C21D22 |
-109.31 |
5.81 |
-8.93 |
-1.14 |
0 |
|
|
36031 |
7980666 |
1 |
ClFNO3H15C20 |
ABCD3E15F20 |
-121.43 |
5.37 |
-9.15 |
-1.28 |
0 |
|
|
36032 |
7980667 |
1 |
ClFNO3H15C20 |
ABCD3E15F20 |
-120.84 |
4.92 |
-9.03 |
-1.26 |
0 |
|
|
36033 |
7980668 |
1 |
ClNO4H18C21 |
ABC4D18E21 |
-113.67 |
8.81 |
-8.64 |
-1.24 |
0 |
|
|
36034 |
7980672 |
1 |
O5H14C21 |
A5B14C21 |
-127.37 |
8.62 |
-9.4 |
-1.21 |
0 |
|
|
36035 |
7980676 |
1 |
NO3C19H21 |
AB3C19D21 |
-108.37 |
3.76 |
-9.36 |
-1.13 |
0 |
|
|
36036 |
7980678 |
2 |
NO2C8H8 |
AB2C8D8 |
-138.93 |
2.35 |
-9.4 |
-1.2 |
0 |
|
|
36037 |
7980679 |
2 |
NO2C8H8 |
AB2C8D8 |
-138.17 |
4.83 |
-9.42 |
-1.23 |
0 |
|
|
36038 |
7980681 |
1 |
NO3H19C21 |
AB3C19D21 |
-76.34 |
4.25 |
-8.72 |
-1.19 |
0 |
|
|
36039 |
7980687 |
1 |
NO3C24H27 |
AB3C24D27 |
-123.48 |
3.39 |
-9.34 |
-1.12 |
0 |
|
|
36040 |
7980689 |
1 |
NO4H19C21 |
AB4C19D21 |
-107.65 |
6.22 |
-8.8 |
-1.24 |
0 |
|
|
36041 |
7980691 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-35.78 |
2.76 |
-9.24 |
-1.07 |
0 |
|
|
36042 |
7980692 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-33.48 |
2.29 |
-9.31 |
-1.13 |
0 |
|
|
36043 |
7980693 |
2 |
NO2C12H12 |
AB2C12D12 |
-102.86 |
6.44 |
-8.81 |
-1.28 |
0 |
|
|
36044 |
7980694 |
1 |
NO3C17H17 |
AB3C17D17 |
-75.25 |
3.93 |
-9.38 |
-1.17 |
0 |
|
|
36045 |
7980695 |
1 |
FNO3H16C20 |
ABC3D16E20 |
-114.3 |
6.06 |
-8.89 |
-1.28 |
0 |
|
|
36046 |
7980696 |
1 |
FNO3H16C20 |
ABC3D16E20 |
-113.26 |
5.42 |
-8.91 |
-1.26 |
0 |
|
|
36047 |
7980697 |
1 |
NF3O3H14C20 |
AB3C3D14E20 |
-198.21 |
5.99 |
-9.28 |
-1.32 |
0 |
|
|
36048 |
7980698 |
1 |
NF3O3H14C20 |
AB3C3D14E20 |
-198.07 |
5.61 |
-9.26 |
-1.3 |
0 |
|
|
36049 |
7980699 |
1 |
NO3C24H25 |
AB3C24D25 |
-89.62 |
4.11 |
-8.95 |
-1.18 |
0 |