List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
280300 |
103848274 |
1 |
BrNO4C14H20 |
ABC4D14E20 |
-146.08 |
4.19 |
-8.72 |
-0.35 |
0 |
|
|
280301 |
103848275 |
1 |
BrNO4C13H16 |
ABC4D13E16 |
-136.84 |
1.71 |
-8.26 |
-0.37 |
0 |
|
|
280302 |
103848288 |
1 |
O2N4C13H18 |
A2B4C13D18 |
-24.25 |
2.47 |
-9.35 |
-1.05 |
0 |
|
|
280303 |
103848289 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-112.36 |
4.59 |
-9.44 |
-0.24 |
0 |
|
|
280304 |
103848291 |
1 |
NF2O2C12H15 |
AB2C2D12E15 |
-161.18 |
2.31 |
-9.47 |
-0.36 |
0 |
|
|
280305 |
103848296 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-112.62 |
3.86 |
-9.75 |
-0.39 |
0 |
|
|
280306 |
103848313 |
2 |
NOC8H12 |
ABC8D12 |
-71.96 |
2.78 |
-8.96 |
0.18 |
0 |
|
|
280307 |
103848315 |
1 |
ClFNO2C12H15 |
ABCD2E12F15 |
-125.44 |
2.29 |
-9.48 |
-0.39 |
0 |
|
|
280308 |
103848317 |
1 |
NO2F3C13H16 |
AB2C3D13E16 |
-233.12 |
3.43 |
-9.48 |
-0.56 |
0 |
|
|
280309 |
103848320 |
1 |
NO3C15H23 |
AB3C15D23 |
-123.11 |
4.24 |
-9.32 |
0.0 |
0 |
|
|
280310 |
103848329 |
1 |
NO2C16H31 |
AB2C16D31 |
-138.72 |
3.99 |
-9.36 |
2.08 |
0 |
|
|
280311 |
103848345 |
1 |
BrNO4C14H18 |
ABC4D14E18 |
-139.14 |
2.11 |
-8.84 |
-0.25 |
0 |
|
|
280312 |
103848346 |
1 |
ClFNO2C12H15 |
ABCD2E12F15 |
-126.23 |
2.92 |
-9.46 |
-0.39 |
0 |
|
|
280313 |
103848347 |
1 |
NO3C15H23 |
AB3C15D23 |
-129.01 |
5.16 |
-8.98 |
0.11 |
0 |
|
|
280314 |
103848349 |
1 |
NO4C14H21 |
AB4C14D21 |
-156.24 |
3.84 |
-8.46 |
0.0 |
0 |
|
|
280315 |
103848356 |
2 |
ON2C7H10 |
AB2C7D10 |
-33.32 |
3.21 |
-9.01 |
-0.66 |
0 |
|
|
280316 |
103848365 |
1 |
FNO2C13H18 |
ABC2D13E18 |
-126.57 |
2.59 |
-9.51 |
-0.15 |
0 |
|
|
280317 |
103848366 |
1 |
NO3C16H23 |
AB3C16D23 |
-127.21 |
4.64 |
-8.69 |
0.11 |
0 |
|
|
280318 |
103848368 |
2 |
NOC5H10 |
ABC5D10 |
-97.3 |
3.69 |
-8.83 |
2.06 |
0 |
|
|
280319 |
103848370 |
1 |
NCl2O2C12H15 |
AB2C2D12E15 |
-85.98 |
2.87 |
-9.42 |
-0.44 |
0 |
|
|
280320 |
103848407 |
1 |
ClN2O4C12H15 |
AB2C4D12E15 |
-83.88 |
4.3 |
-9.7 |
-1.6 |
0 |
|
|
280321 |
103848413 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-70.88 |
6.51 |
-9.34 |
0.53 |
0 |
|
|
280322 |
103848416 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-31.15 |
0.85 |
-8.99 |
-0.68 |
0 |
|
|
280323 |
103848423 |
1 |
NO3C17H27 |
AB3C17D27 |
-133.44 |
3.7 |
-8.78 |
0.17 |
0 |
|
|
280324 |
103848429 |
2 |
NO2C8H15 |
AB2C8D15 |
-223.37 |
5.26 |
-9.43 |
0.86 |
0 |
|
|
280325 |
103848440 |
1 |
NO4C13H17 |
AB4C13D17 |
-134.32 |
1.02 |
-8.81 |
-0.08 |
0 |
|
|
280326 |
103848444 |
2 |
NOC8H13 |
ABC8D13 |
-83.42 |
5.81 |
-8.05 |
0.42 |
0 |
|
|
280327 |
103848457 |
1 |
NO3C15H21 |
AB3C15D21 |
-95.13 |
5.2 |
-9.09 |
-0.14 |
0 |
|
|
280328 |
103848463 |
1 |
NO2C9H17 |
AB2C9D17 |
-81.59 |
3.74 |
-9.51 |
2.0 |
0 |
|
|
280329 |
103848464 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-48.64 |
2.58 |
-9.63 |
-0.62 |
0 |
|
|
280330 |
103848467 |
1 |
FNO2C13H18 |
ABC2D13E18 |
-128.09 |
2.92 |
-9.54 |
-0.21 |
0 |
|
|
280331 |
103848477 |
2 |
NO2C6H12 |
AB2C6D12 |
-210.95 |
5.22 |
-9.68 |
0.69 |
0 |
|
|
280332 |
103848481 |
1 |
NO4C14H19 |
AB4C14D19 |
-143.01 |
2.37 |
-8.7 |
0.15 |
0 |
|
|
280333 |
103848482 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-58.87 |
5.74 |
-9.06 |
-0.28 |
0 |
|
|
280334 |
103848483 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-61.77 |
2.38 |
-9.52 |
0.57 |
0 |
|
|
280335 |
103848488 |
1 |
NO2C16H25 |
AB2C16D25 |
-93.94 |
4.12 |
-9.27 |
0.28 |
0 |
|
|
280336 |
103848491 |
1 |
NO3C15H19 |
AB3C15D19 |
-52.04 |
4.52 |
-9.17 |
-0.11 |
0 |
|
|
280337 |
103848494 |
1 |
NOBr2H13C15 |
ABC2D13E15 |
-9.02 |
5.71 |
-8.83 |
-0.8 |
0 |
|
|
280338 |
103848496 |
1 |
BrON2C15H21 |
ABC2D15E21 |
-16.17 |
4.66 |
-8.74 |
-0.51 |
0 |
|
|
280339 |
103848500 |
1 |
BrNOC16H16 |
ABCD16E16 |
-12.78 |
4.28 |
-9.49 |
-0.49 |
0 |
|
|
280340 |
103848504 |
1 |
BrNOC14H18 |
ABCD14E18 |
-31.25 |
3.78 |
-9.33 |
-0.44 |
0 |
|
|
280341 |
103848513 |
1 |
BrNOSC13H14 |
ABCDE13F14 |
9.64 |
3.53 |
-9.07 |
-0.5 |
0 |
|
|
280342 |
103848520 |
1 |
BrNOC13H14 |
ABCD13E14 |
14.96 |
4.22 |
-9.56 |
-0.56 |
0 |
|
|
280343 |
103848521 |
1 |
ClNOC13H14 |
ABCD13E14 |
7.18 |
3.65 |
-9.7 |
-0.55 |
0 |
|
|
280344 |
103848524 |
1 |
BrNOC14H18 |
ABCD14E18 |
-28.92 |
4.3 |
-9.22 |
-0.56 |
0 |
|
|
280345 |
103848532 |
1 |
BrNOC15H20 |
ABCD15E20 |
-42.71 |
4.14 |
-9.33 |
-0.47 |
0 |
|
|
280346 |
103848547 |
1 |
INOC13H16 |
ABCD13E16 |
-16.45 |
4.22 |
-9.49 |
-1.0 |
0 |
|
|
280347 |
103848552 |
1 |
NO3C10H19 |
AB3C10D19 |
-134.97 |
3.8 |
-9.78 |
0.91 |
0 |
|
|
280348 |
103848555 |
1 |
ClINOC12H13 |
ABCDE12F13 |
-13.42 |
4.39 |
-9.7 |
-1.31 |
0 |
|
|
280349 |
103848558 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-79.6 |
3.22 |
-9.16 |
-0.59 |
0 |