List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
341079 |
127263514 |
1 |
ClNC7H16 |
ABC7D16 |
-60.36 |
3.49 |
-9.09 |
1.8 |
0 |
|
|
341080 |
127263515 |
1 |
Cl3N6C10H13 |
A3B6C10D13 |
31.91 |
7.67 |
-9.09 |
-1.12 |
0 |
|
|
341081 |
127263516 |
1 |
NO2C16H21 |
AB2C16D21 |
-68.94 |
2.56 |
-8.63 |
0.43 |
0 |
|
|
341082 |
127263517 |
4 |
OC6H6 |
AB6C6 |
-100.44 |
5.22 |
-9.14 |
-0.36 |
0 |
|
|
341083 |
127263518 |
2 |
NO2C7H11 |
AB2C7D11 |
-187.16 |
2.48 |
-9.84 |
0.23 |
0 |
|
|
341084 |
127263519 |
1 |
NO4C18H23 |
AB4C18D23 |
-165.17 |
2.88 |
-9.62 |
-0.04 |
0 |
|
|
341085 |
127263520 |
2 |
NOC5H9 |
ABC5D9 |
-114.8 |
3.84 |
-10.42 |
-0.1 |
0 |
|
|
341086 |
127263521 |
1 |
ClN3C15H20 |
AB3C15D20 |
22.14 |
2.24 |
-8.68 |
-0.12 |
0 |
|
|
341087 |
127263522 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-73.23 |
4.35 |
-9.2 |
0.28 |
0 |
|
|
341088 |
127263523 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-182.53 |
1.89 |
-8.88 |
0.41 |
0 |
|
|
341089 |
127263524 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-60.91 |
1.65 |
-8.86 |
-0.41 |
0 |
|
|
341090 |
127263525 |
1 |
ClNOC4H8 |
ABCD4E8 |
-55.15 |
4.56 |
-10.42 |
-0.16 |
0 |
|
|
341091 |
127263526 |
2 |
OC4H7 |
AB4C7 |
-112.53 |
1.76 |
-9.76 |
2.08 |
0 |
|
|
341092 |
127263527 |
1 |
ClNO2C6H14 |
ABC2D6E14 |
-133.67 |
2.01 |
-9.6 |
0.92 |
0 |
|
|
341093 |
127263528 |
1 |
N2O4C11H20 |
A2B4C11D20 |
-187.02 |
12.45 |
-8.96 |
0.39 |
0 |
|
|
341094 |
127263529 |
1 |
ClNO2C7H12 |
ABC2D7E12 |
-105.03 |
5.54 |
-9.67 |
0.34 |
0 |
|
|
341095 |
127263530 |
2 |
NO2C5H9 |
AB2C5D9 |
-185.1 |
8.1 |
-10.09 |
0.17 |
0 |
|
|
341096 |
127263531 |
1 |
ClNF2C6H12 |
ABC2D6E12 |
-161.81 |
1.84 |
-9.55 |
1.77 |
0 |
|
|
341097 |
127263532 |
1 |
N2O4F6C9H14 |
A2B4C6D9E14 |
-489.9 |
11.36 |
-10.05 |
-0.67 |
0 |
|
|
341098 |
127263533 |
1 |
N2O4F6C9H14 |
A2B4C6D9E14 |
-477.56 |
3.13 |
-9.3 |
-1.07 |
0 |
|
|
341099 |
127263534 |
2 |
ClFNC3H7 |
ABCD3E7 |
-186.82 |
2.43 |
-9.76 |
0.93 |
0 |
|
|
341100 |
127263535 |
1 |
ClNOC6H14 |
ABCD6E14 |
-98.64 |
4.99 |
-9.72 |
1.46 |
0 |
|
|
341101 |
127263536 |
1 |
ClNOC7H16 |
ABCD7E16 |
-99.19 |
2.26 |
-9.04 |
1.99 |
0 |
|
|
341102 |
127263537 |
1 |
ClNOC6H14 |
ABCD6E14 |
-96.9 |
3.45 |
-9.57 |
1.29 |
0 |
|
|
341103 |
127263538 |
1 |
N3O5C26H41 |
A3B5C26D41 |
-230.62 |
6.0 |
-9.64 |
-0.11 |
0 |
|
|
341104 |
127263539 |
1 |
N2O4F6C9H14 |
A2B4C6D9E14 |
-498.23 |
9.62 |
-9.92 |
-0.5 |
0 |
|
|
341105 |
127263540 |
2 |
NO2F3C5H7 |
AB2C3D5E7 |
-474.93 |
11.54 |
-10.21 |
-1.33 |
0 |
|
|
341106 |
127263541 |
2 |
NO2F3C5H7 |
AB2C3D5E7 |
-467.2 |
5.54 |
-9.37 |
-0.74 |
0 |
|
|
341107 |
127263542 |
2 |
NO2F3C5H7 |
AB2C3D5E7 |
-482.73 |
10.05 |
-9.74 |
-0.76 |
0 |
|
|
341108 |
127263543 |
1 |
ClNOC7H14 |
ABCD7E14 |
-72.66 |
5.01 |
-10.03 |
1.69 |
0 |
|
|
341109 |
127263544 |
1 |
NO5C15H21 |
AB5C15D21 |
-223.46 |
5.91 |
-9.15 |
-0.27 |
0 |
|
|
341110 |
127263545 |
1 |
NO3C11H13 |
AB3C11D13 |
-92.3 |
3.83 |
-8.1 |
0.16 |
0 |
|
|
341111 |
127263546 |
1 |
NO3C11H13 |
AB3C11D13 |
-85.7 |
2.29 |
-7.88 |
0.14 |
0 |
|
|
341112 |
127263547 |
1 |
BrNH12C15 |
ABC12D15 |
64.06 |
3.09 |
-8.33 |
-0.48 |
0 |
|
|
341113 |
127263548 |
1 |
OCl2N2C3H10 |
AB2C2D3E10 |
-90.89 |
3.78 |
-9.64 |
1.29 |
0 |
|
|
341114 |
127263549 |
1 |
Cl2N2O2C7H18 |
A2B2C2D7E18 |
-179.3 |
0.56 |
-9.75 |
1.02 |
0 |
|
|
341115 |
127263550 |
1 |
ClNO2F3C7H11 |
ABC2D3E7F11 |
-289.67 |
8.88 |
-9.86 |
0.58 |
0 |
|
|
341116 |
127263551 |
1 |
Cl2N2C7H18 |
A2B2C7D18 |
-87.29 |
6.32 |
-9.44 |
1.78 |
0 |
|
|
341117 |
127263552 |
1 |
OCl2N2C6H16 |
AB2C2D6E16 |
-129.66 |
5.7 |
-9.18 |
1.75 |
0 |
|
|
341119 |
127263554 |
1 |
ClN4C7H9 |
AB4C7D9 |
38.73 |
5.8 |
-8.63 |
-0.8 |
0 |
|
|
341120 |
127263555 |
2 |
ClNC4H9 |
ABC4D9 |
-83.6 |
5.87 |
-9.48 |
1.34 |
0 |
|
|
341121 |
127263556 |
1 |
OCl2N2C8H12 |
AB2C2D8E12 |
-62.67 |
4.08 |
-10.07 |
-0.84 |
0 |
|
|
341122 |
127263557 |
1 |
ClN2F3H8C9 |
AB2C3D8E9 |
-162.07 |
6.2 |
-8.73 |
-0.63 |
0 |
|
|
341123 |
127263558 |
1 |
ClNOC5H10 |
ABCD5E10 |
-18.35 |
2.59 |
-9.74 |
1.85 |
0 |
|
|
341124 |
127263559 |
1 |
BrClNOF2H9C12 |
ABCDE2F9G12 |
-106.42 |
2.52 |
-8.71 |
-0.62 |
0 |
|
|
341125 |
127263560 |
2 |
NO2F3C5H7 |
AB2C3D5E7 |
-486.68 |
8.98 |
-10.48 |
-0.44 |
0 |
|
|
341126 |
127263561 |
1 |
ClFNC10H13 |
ABCD10E13 |
-63.94 |
5.19 |
-9.99 |
-0.19 |
0 |
|
|
341127 |
127263562 |
1 |
F2O2H10C11 |
A2B2C10D11 |
-157.89 |
3.58 |
-10.03 |
-0.38 |
0 |
|
|
341128 |
127263563 |
1 |
ClNF2C10H12 |
ABC2D10E12 |
-112.26 |
4.41 |
-10.12 |
-0.47 |
0 |
|
|
341129 |
127263564 |
1 |
BNO3C13H20 |
ABC3D13E20 |
-206.56 |
2.43 |
-8.57 |
-0.02 |
0 |
|
|
341130 |
127263565 |
2 |
OF2H5C6 |
AB2C5D6 |
-272.22 |
4.79 |
-10.56 |
-0.95 |
0 |
|
|
341131 |
127263566 |
1 |
BClNO2C11H21 |
ABCD2E11F21 |
-204.17 |
3.97 |
-8.8 |
0.5 |
0 |
|
|
341132 |
127263567 |
1 |
NO4C14H23 |
AB4C14D23 |
-193.7 |
1.45 |
-9.64 |
0.51 |
0 |
|
|
341133 |
127263568 |
2 |
BrNO2H9C10 |
ABC2D9E10 |
-106.32 |
3.7 |
-8.85 |
-0.82 |
0 |
|
|
341134 |
127263569 |
1 |
LiO3N4C12H15 |
AB3C4D12E15 |
-73.76 |
46.66 |
-7.23 |
-1.32 |
0 |
|
|
341135 |
127263570 |
1 |
ClNOC7H14 |
ABCD7E14 |
-89.4 |
2.43 |
-9.41 |
1.99 |
0 |
|
|
341136 |
127263571 |
1 |
N2O4F6C11H16 |
A2B4C6D11E16 |
-452.75 |
3.47 |
-9.24 |
-1.51 |
0 |
|
|
341137 |
127263572 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-48.55 |
3.39 |
-9.78 |
-0.36 |
0 |
|
|
341140 |
127263575 |
2 |
N2O3C9H17 |
A2B3C9D17 |
-300.62 |
4.55 |
-9.14 |
-0.77 |
0 |
|
|
341142 |
127263577 |
2 |
NO2C7H13 |
AB2C7D13 |
-234.52 |
0.86 |
-9.34 |
0.86 |
0 |
|
|
341143 |
127263578 |
1 |
ClNO2F3C8H13 |
ABC2D3E8F13 |
-296.67 |
2.59 |
-9.67 |
0.32 |
0 |
|
|
341144 |
127263579 |
1 |
ClN2O3C11H19 |
AB2C3D11E19 |
-165.31 |
4.65 |
-9.64 |
0.16 |
0 |
|
|
341145 |
127263580 |
1 |
ClN2C7H17 |
AB2C7D17 |
-49.25 |
4.65 |
-9.18 |
1.64 |
0 |
|
|
341146 |
127263581 |
1 |
ClNOC7H16 |
ABCD7E16 |
-88.93 |
1.79 |
-8.83 |
1.85 |
0 |
|
|
341147 |
127263582 |
1 |
ClNOC6H14 |
ABCD6E14 |
-83.06 |
2.5 |
-9.15 |
1.86 |
0 |
|
|
341148 |
127263583 |
1 |
ClON2C8H17 |
ABC2D8E17 |
-95.53 |
4.37 |
-8.93 |
1.34 |
0 |
|
|
341149 |
127263584 |
1 |
ClSN2O2C7H17 |
ABC2D2E7F17 |
-138.03 |
4.34 |
-9.05 |
-0.01 |
0 |
|
|
341151 |
127263586 |
1 |
ClN2O2C10H19 |
AB2C2D10E19 |
-113.29 |
1.79 |
-9.62 |
0.58 |
0 |
|
|
341152 |
127263587 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-179.93 |
3.81 |
-9.27 |
-0.41 |
0 |
|
|
341153 |
127263588 |
1 |
ClN2O2C11H21 |
AB2C2D11E21 |
-127.66 |
6.89 |
-9.58 |
0.46 |
0 |
|
|
341154 |
127263589 |
1 |
ClN2O2C11H21 |
AB2C2D11E21 |
-124.62 |
4.78 |
-9.42 |
0.4 |
0 |
|
|
341155 |
127263590 |
1 |
ClN2O2C9H19 |
AB2C2D9E19 |
-138.38 |
3.93 |
-9.44 |
0.86 |
0 |
|
|
341156 |
127263591 |
1 |
BrFNO2C9H15 |
ABCD2E9F15 |
-165.65 |
2.28 |
-9.84 |
-0.7 |
0 |
|
|
341157 |
127263592 |
1 |
ClNO2C5H10 |
ABC2D5E10 |
-119.77 |
4.3 |
-10.16 |
0.63 |
0 |
|
|
341158 |
127263593 |
1 |
ClNOC5H12 |
ABCD5E12 |
-85.96 |
0.98 |
-9.58 |
1.94 |
0 |