List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
339073 |
127260325 |
1 |
O3H14C17 |
A3B14C17 |
-62.25 |
7.89 |
-9.67 |
-1.29 |
0 |
|
|
339074 |
127260326 |
1 |
O3H18C19 |
A3B18C19 |
-71.37 |
4.31 |
-9.37 |
-0.77 |
0 |
|
|
339075 |
127260327 |
1 |
NO5H11C16 |
AB5C11D16 |
-55.88 |
6.75 |
-10.59 |
-1.86 |
0 |
|
|
339076 |
127260328 |
4 |
OH3C4 |
AB3C4 |
-98.07 |
6.89 |
-9.39 |
-1.38 |
0 |
|
|
339077 |
127260329 |
1 |
NO4C25H31 |
AB4C25D31 |
-153.76 |
12.05 |
-8.68 |
-0.62 |
0 |
|
|
339078 |
127260330 |
1 |
NO4C22H25 |
AB4C22D25 |
-140.34 |
11.04 |
-8.82 |
-0.67 |
0 |
|
|
339079 |
127260331 |
1 |
NO4C26H35 |
AB4C26D35 |
-167.39 |
3.5 |
-8.51 |
-0.46 |
0 |
|
|
339080 |
127260332 |
1 |
NO4C25H25 |
AB4C25D25 |
-109.84 |
11.66 |
-8.83 |
-0.75 |
0 |
|
|
339081 |
127260333 |
4 |
OC6H6 |
AB6C6 |
-117.15 |
2.01 |
-8.86 |
-0.61 |
0 |
|
|
339082 |
127260334 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-106.89 |
1.92 |
-9.09 |
-0.59 |
0 |
|
|
339083 |
127260335 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-68.59 |
2.15 |
-8.82 |
-0.73 |
0 |
|
|
339084 |
127260336 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-56.77 |
2.08 |
-8.95 |
-0.73 |
0 |
|
|
339085 |
127260337 |
1 |
NO2H13C14 |
AB2C13D14 |
-26.7 |
3.17 |
-9.33 |
-0.9 |
0 |
|
|
339086 |
127260338 |
1 |
NO2C15H23 |
AB2C15D23 |
-92.29 |
3.25 |
-9.46 |
-0.69 |
0 |
|
|
339087 |
127260344 |
1 |
BrO4C21H25 |
AB4C21D25 |
-135.49 |
2.73 |
-8.91 |
-0.58 |
0 |
|
|
339088 |
127260345 |
1 |
BrNO4H10C14 |
ABC4D10E14 |
-36.47 |
3.22 |
-10.25 |
-1.7 |
0 |
|
|
339089 |
127260346 |
1 |
ClO3C15H21 |
AB3C15D21 |
-139.82 |
1.71 |
-10.03 |
-0.82 |
0 |
|
|
339090 |
127260347 |
1 |
NO2Cl3H10C17 |
AB2C3D10E17 |
-28.48 |
4.09 |
-9.59 |
-1.54 |
0 |
|
|
339091 |
127260348 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-14.41 |
2.67 |
-9.02 |
-0.73 |
0 |
|
|
339092 |
127260349 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-6.71 |
5.06 |
-9.12 |
-0.83 |
0 |
|
|
339093 |
127260350 |
1 |
Cl3O3H13C16 |
A3B3C13D16 |
-95.91 |
4.04 |
-9.21 |
-0.86 |
0 |
|
|
339094 |
127260351 |
1 |
ClN2O2H15C17 |
AB2C2D15E17 |
15.8 |
2.96 |
-8.58 |
-0.97 |
0 |
|
|
339095 |
127260352 |
1 |
ClO2C12H13 |
AB2C12D13 |
-83.51 |
2.27 |
-10.0 |
-0.53 |
0 |
|
|
339096 |
127260353 |
1 |
NO2C12H13 |
AB2C12D13 |
-44.85 |
2.59 |
-10.15 |
-0.75 |
0 |
|
|
339097 |
127260354 |
1 |
O3C22H36 |
A3B22C36 |
-176.05 |
2.85 |
-10.09 |
-0.63 |
0 |
|
|
339098 |
127260355 |
1 |
FO3H11C13 |
AB3C11D13 |
-127.26 |
6.18 |
-10.09 |
-0.98 |
0 |
|
|
339099 |
127260356 |
1 |
FO3H11C14 |
AB3C11D14 |
-128.91 |
2.15 |
-9.43 |
-0.64 |
0 |
|
|
339100 |
127260357 |
1 |
O3C21H26 |
A3B21C26 |
-108.94 |
2.8 |
-8.84 |
-0.86 |
0 |
|
|
339101 |
127260358 |
1 |
O3H14C16 |
A3B14C16 |
-65.42 |
2.7 |
-9.04 |
-0.61 |
0 |
|
|
339102 |
127260359 |
1 |
NO4H13C15 |
AB4C13D15 |
-119.49 |
6.53 |
-9.65 |
-0.64 |
0 |
|
|
339103 |
127260360 |
1 |
O4C21H26 |
A4B21C26 |
-139.15 |
2.14 |
-8.66 |
-0.92 |
0 |
|
|
339104 |
127260361 |
1 |
O5C13H18 |
A5B13C18 |
-216.89 |
2.06 |
-10.16 |
-0.74 |
0 |
|
|
339105 |
127260362 |
5 |
OC3H4 |
AB3C4 |
-219.36 |
5.39 |
-10.18 |
-0.76 |
0 |
|
|
339106 |
127260363 |
1 |
O5C14H18 |
A5B14C18 |
-216.97 |
5.06 |
-10.25 |
-0.83 |
0 |
|
|
339107 |
127260364 |
1 |
O5C18H20 |
A5B18C20 |
-168.37 |
4.43 |
-9.43 |
-0.68 |
0 |
|
|
339108 |
127260365 |
1 |
Br2O3H8C13 |
A2B3C8D13 |
-59.91 |
5.35 |
-9.26 |
-1.29 |
0 |
|
|
339109 |
127260366 |
1 |
O3C13H16 |
A3B13C16 |
-104.56 |
3.75 |
-10.1 |
-0.72 |
0 |
|
|
339110 |
127260367 |
1 |
O3C18H20 |
A3B18C20 |
-93.56 |
2.19 |
-8.8 |
-0.59 |
0 |
|
|
339111 |
127260368 |
1 |
O3H16C20 |
A3B16C20 |
-48.3 |
2.23 |
-8.89 |
-0.67 |
0 |
|
|
339112 |
127260491 |
1 |
ClO5H11C14 |
AB5C11D14 |
-182.31 |
1.52 |
-9.17 |
-0.85 |
0 |
|
|
339113 |
127260492 |
1 |
ClO3H17C18 |
AB3C17D18 |
-85.96 |
3.59 |
-9.25 |
-0.64 |
0 |
|
|
339114 |
127260493 |
1 |
ClO4C12H15 |
AB4C12D15 |
-176.93 |
4.38 |
-10.25 |
-0.85 |
0 |
|
|
339115 |
127260494 |
1 |
ClO4C13H17 |
AB4C13D17 |
-184.2 |
6.08 |
-10.33 |
-0.94 |
0 |
|
|
339116 |
127260495 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-46.14 |
4.05 |
-10.32 |
-0.92 |
0 |
|
|
339117 |
127260496 |
1 |
ClFO2H8C13 |
ABC2D8E13 |
-83.16 |
5.4 |
-9.38 |
-1.09 |
0 |
|
|
339118 |
127260497 |
1 |
FO3C15H21 |
AB3C15D21 |
-190.48 |
3.34 |
-10.03 |
-0.56 |
0 |
|
|
339119 |
127260498 |
1 |
FO3C12H15 |
AB3C12D15 |
-170.45 |
3.45 |
-10.16 |
-0.71 |
0 |
|
|
339120 |
127260499 |
2 |
O2H7C8 |
A2B7C8 |
-103.79 |
7.17 |
-9.33 |
-0.63 |
0 |
|
|
339121 |
127260500 |
1 |
BrO3H11C14 |
AB3C11D14 |
-76.39 |
3.73 |
-9.21 |
-0.78 |
0 |
|
|
339122 |
127260501 |
1 |
O3H14C15 |
A3B14C15 |
-88.66 |
1.74 |
-8.91 |
-0.6 |
0 |