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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
72452 |
48416190 |
1 |
NO5C18H25 |
AB5C18D25 |
-213.69 |
2.62 |
-8.68 |
0.29 |
0 |
|
|
72453 |
48416191 |
1 |
NO5C22H27 |
AB5C22D27 |
-183.51 |
4.81 |
-8.79 |
-0.06 |
0 |
|
|
72454 |
48416192 |
1 |
N2O6C21H24 |
A2B6C21D24 |
-153.6 |
3.8 |
-8.98 |
-1.52 |
0 |
|
|
72455 |
48416193 |
1 |
NO5C23H29 |
AB5C23D29 |
-189.73 |
5.56 |
-8.72 |
-0.11 |
0 |
|
|
72456 |
48416195 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-190.4 |
4.55 |
-8.65 |
-0.47 |
0 |
|
|
72457 |
48416196 |
1 |
NO4C22H27 |
AB4C22D27 |
-148.94 |
4.78 |
-8.95 |
-0.05 |
0 |
|
|
72458 |
48416197 |
1 |
NO4C20H29 |
AB4C20D29 |
-187.39 |
4.54 |
-8.73 |
0.21 |
0 |
|
|
72459 |
48416199 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-127.64 |
4.78 |
-8.71 |
-0.24 |
0 |
|
|
72460 |
48416200 |
1 |
NO4C21H25 |
AB4C21D25 |
-146.15 |
4.71 |
-8.65 |
-0.21 |
0 |
|
|
72461 |
48416201 |
1 |
NO5C21H25 |
AB5C21D25 |
-176.81 |
0.82 |
-8.6 |
0.12 |
0 |
|
|
72462 |
48416202 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-111.43 |
1.73 |
-8.7 |
-1.23 |
0 |
|
|
72463 |
48416203 |
1 |
NO5C21H25 |
AB5C21D25 |
-175.77 |
5.11 |
-8.76 |
-0.4 |
0 |
|
|
72464 |
48416204 |
1 |
NO6C21H23 |
AB6C21D23 |
-200.12 |
5.76 |
-8.95 |
-0.55 |
0 |
|
|
72465 |
48416205 |
1 |
BrNO5C18H20 |
ABC5D18E20 |
-157.84 |
1.25 |
-8.74 |
-0.89 |
0 |
|
|
72466 |
48416206 |
1 |
ClN2O4C19H21 |
AB2C4D19E21 |
-133.61 |
2.69 |
-8.89 |
-1.02 |
0 |
|
|
72467 |
48416207 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-104.52 |
6.03 |
-8.79 |
-1.01 |
0 |
|
|
72468 |
48416208 |
1 |
NO4C18H25 |
AB4C18D25 |
-163.13 |
3.46 |
-8.84 |
-0.01 |
0 |
|
|
72469 |
48416210 |
1 |
NO4C21H25 |
AB4C21D25 |
-146.9 |
1.58 |
-8.69 |
-0.07 |
0 |
|
|
72470 |
48416211 |
2 |
NO2C11H14 |
AB2C11D14 |
-135.83 |
3.28 |
-8.43 |
-0.18 |
0 |
|
|
72471 |
48416212 |
1 |
NO6C22H27 |
AB6C22D27 |
-211.28 |
7.67 |
-8.63 |
-0.45 |
0 |
|
|
72472 |
48416213 |
1 |
NO6C22H27 |
AB6C22D27 |
-220.57 |
7.14 |
-8.38 |
-0.29 |
0 |
|
|
72473 |
48416214 |
1 |
NO6C22H27 |
AB6C22D27 |
-221.03 |
3.8 |
-8.76 |
-0.28 |
0 |
|
|
72474 |
48416215 |
1 |
ClNO4C20H22 |
ABC4D20E22 |
-146.17 |
2.67 |
-8.68 |
-0.56 |
0 |
|
|
72475 |
48416216 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-126.77 |
2.27 |
-8.67 |
-0.77 |
0 |
|
|
72476 |
48416217 |
1 |
NO4C17H25 |
AB4C17D25 |
-181.17 |
5.65 |
-8.57 |
0.37 |
0 |
|
|
72477 |
48416218 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-125.77 |
4.27 |
-9.11 |
-0.56 |
0 |
|
|
72478 |
48416219 |
1 |
N2O7C21H24 |
A2B7C21D24 |
-180.56 |
3.67 |
-8.72 |
-1.45 |
0 |
|
|
72479 |
48416220 |
2 |
NO2C12H14 |
AB2C12D14 |
-133.14 |
2.75 |
-8.43 |
0.02 |
0 |
|
|
72480 |
48416221 |
1 |
SN2O4C21H22 |
AB2C4D21E22 |
-107.87 |
3.9 |
-8.75 |
-1.2 |
0 |
|
|
72481 |
48416223 |
1 |
FNO4C20H22 |
ABC4D20E22 |
-188.12 |
5.02 |
-8.65 |
-0.49 |
0 |
|
|
72482 |
48416224 |
1 |
NO5C20H23 |
AB5C20D23 |
-180.96 |
4.63 |
-8.61 |
-0.46 |
0 |
|
|
72483 |
48416225 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-127.18 |
4.41 |
-8.8 |
-0.71 |
0 |
|
|
72484 |
48416226 |
1 |
NSO5C21H25 |
ABC5D21E25 |
-175.78 |
2.85 |
-8.75 |
-1.04 |
0 |
|
|
72485 |
48416227 |
1 |
NO5C21H25 |
AB5C21D25 |
-175.09 |
2.58 |
-8.58 |
-0.31 |
0 |
|
|
72486 |
48416228 |
1 |
NO5C18H21 |
AB5C18D21 |
-164.32 |
4.12 |
-8.6 |
-0.42 |
0 |
|
|
72487 |
48416229 |
2 |
NO3C10H11 |
AB3C10D11 |
-140.87 |
8.82 |
-9.04 |
-1.54 |
0 |
|
|
72488 |
48416230 |
1 |
NSO4C19H23 |
ABC4D19E23 |
-142.72 |
1.96 |
-8.58 |
-0.68 |
0 |
|
|
72489 |
48416231 |
1 |
NSO4C19H23 |
ABC4D19E23 |
-142.83 |
5.21 |
-8.64 |
-0.62 |
0 |
|
|
72490 |
48416232 |
1 |
NO5C21H25 |
AB5C21D25 |
-176.19 |
3.99 |
-8.5 |
-0.27 |
0 |
|
|
72491 |
48416233 |
1 |
NO6C23H29 |
AB6C23D29 |
-219.39 |
4.41 |
-8.48 |
-0.1 |
0 |
|
|
72492 |
48416234 |
1 |
NO4C17H23 |
AB4C17D23 |
-147.85 |
3.06 |
-8.59 |
0.34 |
0 |
|
|
72493 |
48416235 |
1 |
FNO4C20H22 |
ABC4D20E22 |
-184.34 |
3.04 |
-8.54 |
-0.63 |
0 |
|
|
72494 |
48416236 |
1 |
NO4C20H23 |
AB4C20D23 |
-136.16 |
2.02 |
-8.65 |
-0.34 |
0 |
|
|
72495 |
48416237 |
1 |
SN2O5C18H24 |
AB2C5D18E24 |
-200.75 |
2.64 |
-8.68 |
-0.56 |
0 |
|
|
72496 |
48416238 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-153.17 |
3.18 |
-8.75 |
-0.77 |
0 |
|
|
72497 |
48416239 |
1 |
NO4C20H27 |
AB4C20D27 |
-164.79 |
4.64 |
-8.7 |
0.22 |
0 |
|
|
72498 |
48416240 |
1 |
NSO6C21H25 |
ABC6D21E25 |
-217.8 |
3.59 |
-8.63 |
-1.06 |
0 |
|
|
72499 |
48416241 |
1 |
N3O5C22H29 |
A3B5C22D29 |
-176.04 |
1.83 |
-8.7 |
-1.03 |
0 |
|
|
72500 |
48416242 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-218.39 |
1.78 |
-8.66 |
-0.41 |
0 |
|
|
72501 |
48416243 |
1 |
NO5C22H23 |
AB5C22D23 |
-148.08 |
5.31 |
-8.86 |
-0.82 |
0 |
|
|
72502 |
48416244 |
1 |
NO4C15H21 |
AB4C15D21 |
-171.76 |
3.46 |
-8.74 |
0.19 |
0 |
|
|
72503 |
48416245 |
2 |
NO3C10H11 |
AB3C10D11 |
-139.24 |
5.73 |
-8.61 |
-1.51 |
0 |
|
|
72504 |
48416246 |
2 |
NO3C10H11 |
AB3C10D11 |
-142.11 |
7.84 |
-8.83 |
-1.44 |
0 |
|
|
72505 |
48416247 |
1 |
SN2O4C19H24 |
AB2C4D19E24 |
-144.06 |
2.18 |
-8.62 |
-0.57 |
0 |
|
|
72506 |
48416248 |
1 |
N2O5C20H30 |
A2B5C20D30 |
-233.1 |
3.8 |
-8.72 |
0.23 |
0 |
|
|
72507 |
48416249 |
2 |
NO3C11H14 |
AB3C11D14 |
-245.83 |
7.94 |
-9.19 |
-0.49 |
0 |
|
|
72508 |
48416251 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-90.0 |
6.85 |
-9.02 |
-0.83 |
0 |
|
|
72509 |
48416252 |
1 |
NO6C23H29 |
AB6C23D29 |
-219.63 |
7.93 |
-8.5 |
-0.34 |
0 |
|
|
72510 |
48416253 |
1 |
N3O6C21H25 |
A3B6C21D25 |
-151.46 |
7.97 |
-8.94 |
-1.03 |
0 |
|
|
72511 |
48416254 |
1 |
NSO6C21H25 |
ABC6D21E25 |
-219.67 |
5.09 |
-9.01 |
-0.84 |
0 |
|
|
72512 |
48416255 |
1 |
NSO4C17H25 |
ABC4D17E25 |
-170.87 |
4.38 |
-8.73 |
-0.12 |
0 |
|
|
72513 |
48416256 |
1 |
NO6C23H29 |
AB6C23D29 |
-223.63 |
5.73 |
-8.72 |
0.16 |
0 |
|
|
72514 |
48416258 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-149.39 |
7.48 |
-8.91 |
-0.32 |
0 |
|
|
72515 |
48416259 |
1 |
ClN3O4C21H22 |
AB3C4D21E22 |
-108.72 |
5.01 |
-8.73 |
-1.1 |
0 |
|
|
72516 |
48416260 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-132.09 |
3.34 |
-8.89 |
-1.03 |
0 |
|
|
72517 |
48416261 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-138.45 |
7.9 |
-8.54 |
-0.08 |
0 |
|
|
72518 |
48416262 |
1 |
N2O5C22H32 |
A2B5C22D32 |
-228.06 |
5.24 |
-8.65 |
0.28 |
0 |
|
|
72519 |
48416263 |
1 |
NF2O4C22H25 |
AB2C4D22E25 |
-243.53 |
5.47 |
-8.77 |
-0.12 |
0 |
|
|
72520 |
48416264 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-113.81 |
1.39 |
-8.52 |
-0.5 |
0 |
|
|
72521 |
48416265 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-174.05 |
4.17 |
-8.63 |
-0.88 |
0 |
|
|
72522 |
48416266 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-165.35 |
6.57 |
-8.7 |
-0.96 |
0 |
|
|
72523 |
48416267 |
1 |
NO5C20H25 |
AB5C20D25 |
-180.91 |
4.64 |
-8.83 |
-0.18 |
0 |
|
|
72524 |
48416268 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-192.79 |
3.48 |
-8.93 |
-0.05 |
0 |
|
|
72525 |
48416269 |
1 |
N2O6C19H28 |
A2B6C19D28 |
-268.46 |
6.41 |
-8.84 |
0.09 |
0 |
|
|
72526 |
48416270 |
1 |
N2O6C21H32 |
A2B6C21D32 |
-270.7 |
3.58 |
-8.74 |
0.16 |
0 |
|
|
72527 |
48416271 |
1 |
NO5C23H29 |
AB5C23D29 |
-184.22 |
3.55 |
-8.86 |
0.04 |
0 |
|
|
72528 |
48416272 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-223.14 |
2.93 |
-8.76 |
0.19 |
0 |
|
|
72529 |
48416273 |
2 |
NO3C10H12 |
AB3C10D12 |
-213.83 |
4.95 |
-8.56 |
-0.62 |
0 |
|
|
72530 |
48416274 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-203.66 |
5.48 |
-9.09 |
-0.25 |
0 |
|
|
72531 |
48416275 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-220.64 |
3.99 |
-8.82 |
-0.03 |
0 |
|
|
72532 |
48416276 |
1 |
NO6C23H27 |
AB6C23D27 |
-223.78 |
5.53 |
-8.63 |
-0.62 |
0 |
|
|
72533 |
48416277 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-104.58 |
9.73 |
-8.54 |
-1.08 |
0 |
|
|
72534 |
48416278 |
1 |
NO5C22H25 |
AB5C22D25 |
-178.0 |
5.86 |
-8.97 |
-0.32 |
0 |
|
|
72535 |
48416279 |
2 |
NO2C12H14 |
AB2C12D14 |
-139.29 |
2.49 |
-8.29 |
-0.01 |
0 |
|
|
72536 |
48416280 |
1 |
NF2O5C21H23 |
AB2C5D21E23 |
-266.03 |
3.49 |
-8.92 |
-0.7 |
0 |
|
|
72537 |
48416281 |
1 |
N2O5C22H32 |
A2B5C22D32 |
-229.52 |
3.69 |
-8.87 |
0.07 |
0 |
|
|
72538 |
48416282 |
1 |
N2O7C21H24 |
A2B7C21D24 |
-179.46 |
4.46 |
-8.81 |
-1.49 |
0 |
|
|
72539 |
48416283 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-226.31 |
6.91 |
-8.8 |
0.13 |
0 |
|
|
72540 |
48416284 |
1 |
NF3O4C21H28 |
AB3C4D21E28 |
-353.37 |
5.67 |
-8.78 |
0.16 |
0 |
|
|
72541 |
48416285 |
1 |
NO5C21H31 |
AB5C21D31 |
-224.94 |
3.64 |
-8.77 |
0.11 |
0 |
|
|
72542 |
48416286 |
1 |
NO5C20H29 |
AB5C20D29 |
-220.59 |
4.46 |
-8.8 |
0.1 |
0 |
|
|
72543 |
48416287 |
1 |
N2O5C22H24 |
A2B5C22D24 |
-140.72 |
3.24 |
-8.71 |
-1.0 |
0 |
|
|
72544 |
48416288 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-101.66 |
4.07 |
-8.69 |
-1.32 |
0 |
|
|
72545 |
48416289 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-97.37 |
4.69 |
-8.92 |
-1.7 |
0 |
|
|
72546 |
48416290 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-145.05 |
7.22 |
-8.91 |
-0.13 |
0 |
|
|
72547 |
48416291 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-124.05 |
5.47 |
-8.94 |
0.23 |
0 |
|
|
72548 |
48416292 |
1 |
FO4N5C20H24 |
AB4C5D20E24 |
-192.61 |
3.68 |
-9.47 |
-0.33 |
0 |
|
|
72549 |
48416293 |
1 |
SF2O2N3C16H19 |
AB2C2D3E16F19 |
-164.88 |
3.75 |
-9.42 |
-1.09 |
0 |
|
|
72550 |
48416294 |
1 |
O4N5C17H23 |
A4B5C17D23 |
-80.68 |
6.05 |
-8.99 |
-1.02 |
0 |
|
|
72551 |
48416295 |
2 |
ON3C10H13 |
AB3C10D13 |
-11.29 |
7.69 |
-8.84 |
-0.57 |
0 |