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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
335273 |
127254134 |
1 |
NO6C27H31 |
AB6C27D31 |
-185.79 |
2.73 |
-8.19 |
-0.53 |
0 |
|
|
335274 |
127254135 |
1 |
N2O4C23H34 |
A2B4C23D34 |
-176.75 |
2.73 |
-8.78 |
-0.15 |
0 |
|
|
335275 |
127254136 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-95.32 |
7.61 |
-8.72 |
0.12 |
0 |
|
|
335276 |
127254137 |
2 |
NO2C12H16 |
AB2C12D16 |
-145.9 |
2.06 |
-8.79 |
0.27 |
0 |
|
|
335277 |
127254138 |
1 |
ClNO3C16H24 |
ABC3D16E24 |
-163.49 |
4.53 |
-8.56 |
0.1 |
0 |
|
|
335278 |
127254139 |
1 |
NO3C16H23 |
AB3C16D23 |
-121.51 |
3.96 |
-8.54 |
0.07 |
0 |
|
|
335279 |
127254140 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-136.04 |
4.69 |
-8.76 |
0.17 |
0 |
|
|
335280 |
127254141 |
1 |
NO3C25H33 |
AB3C25D33 |
-103.18 |
1.94 |
-8.09 |
0.38 |
0 |
|
|
335281 |
127254142 |
2 |
NO2C11H16 |
AB2C11D16 |
-171.96 |
2.35 |
-8.78 |
-0.15 |
0 |
|
|
335282 |
127254143 |
2 |
NO2C14H19 |
AB2C14D19 |
-156.79 |
4.66 |
-7.88 |
0.12 |
0 |
|
|
335283 |
127254144 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-129.6 |
6.19 |
-8.76 |
0.18 |
0 |
|
|
335284 |
127254145 |
1 |
N3O3C28H37 |
A3B3C28D37 |
-123.63 |
3.81 |
-7.74 |
-0.08 |
0 |
|
|
335285 |
127254146 |
1 |
NO4C27H33 |
AB4C27D33 |
-131.15 |
5.09 |
-8.53 |
-0.47 |
0 |
|
|
335286 |
127254147 |
1 |
NO5C27H33 |
AB5C27D33 |
-167.19 |
3.16 |
-8.27 |
-0.43 |
0 |
|
|
335287 |
127254148 |
1 |
NO4C26H31 |
AB4C26D31 |
-125.47 |
2.23 |
-8.37 |
-0.26 |
0 |
|
|
335288 |
127254149 |
1 |
NO4C30H31 |
AB4C30D31 |
-113.09 |
2.26 |
-8.75 |
-0.21 |
0 |
|
|
335289 |
127254150 |
1 |
NO3C24H29 |
AB3C24D29 |
-106.07 |
6.08 |
-8.7 |
0.08 |
0 |
|
|
335290 |
127254151 |
1 |
NO6C26H33 |
AB6C26D33 |
-204.37 |
8.51 |
-8.16 |
-0.15 |
0 |
|
|
335291 |
127254152 |
1 |
ClN2O5C24H33 |
AB2C5D24E33 |
-212.27 |
2.82 |
-9.02 |
-0.32 |
0 |
|
|
335292 |
127254153 |
1 |
N2O5C24H32 |
A2B5C24D32 |
-174.28 |
2.74 |
-8.77 |
-0.04 |
0 |
|
|
335293 |
127254154 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-136.96 |
5.49 |
-8.88 |
0.12 |
0 |
|
|
335294 |
127254155 |
1 |
NO3C23H27 |
AB3C23D27 |
-100.48 |
6.46 |
-8.99 |
-0.01 |
0 |
|
|
335295 |
127254156 |
1 |
N2O5C20H30 |
A2B5C20D30 |
-202.58 |
5.39 |
-8.71 |
0.09 |
0 |
|
|
335296 |
127254157 |
1 |
N2O3C29H38 |
A2B3C29D38 |
-100.07 |
3.55 |
-8.24 |
-0.44 |
0 |
|
|
335297 |
127254158 |
1 |
N2O5C26H34 |
A2B5C26D34 |
-178.87 |
2.36 |
-8.19 |
0.19 |
0 |
|
|
335298 |
127254159 |
1 |
N3O5C30H37 |
A3B5C30D37 |
-169.48 |
4.01 |
-8.49 |
-0.01 |
0 |
|
|
335299 |
127254160 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-129.82 |
5.91 |
-8.89 |
0.12 |
0 |
|
|
335300 |
127254161 |
1 |
NO6C27H31 |
AB6C27D31 |
-194.17 |
2.47 |
-8.6 |
-0.56 |
0 |
|
|
335301 |
127254162 |
1 |
NO5C25H31 |
AB5C25D31 |
-174.6 |
3.84 |
-8.32 |
-0.06 |
0 |
|
|
335302 |
127254163 |
1 |
N2O4C23H36 |
A2B4C23D36 |
-189.39 |
3.63 |
-8.49 |
0.17 |
0 |
|
|
335303 |
127254164 |
1 |
ON2C28H38 |
AB2C28D38 |
-18.66 |
4.02 |
-7.97 |
0.3 |
0 |
|
|
335304 |
127254165 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-142.56 |
2.25 |
-8.74 |
0.18 |
0 |
|
|
335305 |
127254166 |
1 |
NO4C19H27 |
AB4C19D27 |
-170.16 |
3.83 |
-8.42 |
-0.22 |
0 |
|
|
335306 |
127254167 |
2 |
NOC13H17 |
ABC13D17 |
-74.22 |
4.35 |
-7.98 |
-0.01 |
0 |
|
|
335307 |
127254169 |
1 |
NO7C28H33 |
AB7C28D33 |
-218.88 |
6.13 |
-8.38 |
-0.37 |
0 |
|
|
335308 |
127254170 |
2 |
NO2C12H18 |
AB2C12D18 |
-181.97 |
2.3 |
-8.78 |
-0.14 |
0 |
|
|
335309 |
127254171 |
1 |
NO4C26H31 |
AB4C26D31 |
-125.87 |
4.63 |
-8.4 |
-0.48 |
0 |
|
|
335310 |
127254172 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-132.92 |
3.08 |
-8.92 |
-0.11 |
0 |
|
|
335311 |
127254173 |
1 |
NO4C19H27 |
AB4C19D27 |
-181.41 |
4.0 |
-8.52 |
0.48 |
0 |
|
|
335312 |
127254174 |
1 |
N2O3C26H42 |
A2B3C26D42 |
-165.93 |
2.17 |
-8.74 |
0.18 |
0 |
|
|
335313 |
127254175 |
2 |
NO2C15H20 |
AB2C15D20 |
-134.88 |
2.36 |
-7.84 |
-0.39 |
0 |
|
|
335314 |
127254176 |
1 |
NO5C21H23 |
AB5C21D23 |
-152.12 |
3.52 |
-8.69 |
-0.16 |
0 |
|
|
335315 |
127254177 |
1 |
NO4C28H33 |
AB4C28D33 |
-127.46 |
4.77 |
-8.4 |
-0.61 |
0 |
|
|
335316 |
127254178 |
1 |
N2O4C27H44 |
A2B4C27D44 |
-202.6 |
3.16 |
-8.38 |
0.36 |
0 |
|
|
335317 |
127254179 |
1 |
ClNO3C17H26 |
ABC3D17E26 |
-169.14 |
3.41 |
-8.37 |
0.29 |
0 |
|
|
335318 |
127254180 |
1 |
NO3C17H25 |
AB3C17D25 |
-134.42 |
4.06 |
-8.43 |
0.16 |
0 |
|
|
335319 |
127254181 |
1 |
NO5C25H31 |
AB5C25D31 |
-172.22 |
6.06 |
-8.88 |
-0.19 |
0 |
|
|
335320 |
127254182 |
2 |
NOC14H19 |
ABC14D19 |
-87.61 |
4.38 |
-7.98 |
0.41 |
0 |
|
|
335321 |
127254183 |
1 |
NO4C21H25 |
AB4C21D25 |
-127.31 |
6.55 |
-8.96 |
-0.01 |
0 |
|
|
335322 |
127254184 |
2 |
NOC14H18 |
ABC14D18 |
-59.99 |
2.38 |
-7.87 |
-0.45 |
0 |
|
|
335323 |
127254185 |
1 |
NO4C24H29 |
AB4C24D29 |
-141.06 |
2.78 |
-8.88 |
-0.04 |
0 |
|
|
335324 |
127254186 |
1 |
NO4C19H27 |
AB4C19D27 |
-177.91 |
4.79 |
-8.82 |
0.27 |
0 |
|
|
335325 |
127254187 |
1 |
NO3C25H31 |
AB3C25D31 |
-113.17 |
2.03 |
-8.79 |
0.27 |
0 |
|
|
335326 |
127254188 |
1 |
NO3C18H25 |
AB3C18D25 |
-129.98 |
2.6 |
-8.99 |
-0.05 |
0 |
|
|
335327 |
127254189 |
1 |
NO6C29H39 |
AB6C29D39 |
-230.21 |
3.01 |
-8.53 |
0.09 |
0 |
|
|
335328 |
127254190 |
1 |
N2O4C23H34 |
A2B4C23D34 |
-181.43 |
5.11 |
-8.32 |
0.38 |
0 |
|
|
335329 |
127254191 |
1 |
NO5C28H35 |
AB5C28D35 |
-171.25 |
1.84 |
-8.37 |
-0.25 |
0 |
|
|
335330 |
127254192 |
1 |
N2O5C31H42 |
A2B5C31D42 |
-170.64 |
5.27 |
-7.9 |
-0.27 |
0 |
|
|
335331 |
127254193 |
1 |
NO6C28H35 |
AB6C28D35 |
-204.46 |
2.63 |
-8.33 |
-0.17 |
0 |
|
|
335332 |
127254194 |
1 |
NO3C23H27 |
AB3C23D27 |
-100.61 |
4.7 |
-8.67 |
-0.07 |
0 |
|
|
335333 |
127254195 |
1 |
NO4C20H29 |
AB4C20D29 |
-192.04 |
0.58 |
-8.97 |
0.22 |
0 |
|
|
335334 |
127254196 |
1 |
N2O5C25H30 |
A2B5C25D30 |
-166.97 |
3.47 |
-8.21 |
-0.2 |
0 |
|
|
335335 |
127254197 |
1 |
N2O3C23H34 |
A2B3C23D34 |
-135.41 |
3.74 |
-8.46 |
0.44 |
0 |
|
|
335336 |
127254198 |
1 |
NO5C27H33 |
AB5C27D33 |
-162.61 |
1.87 |
-8.38 |
-0.42 |
0 |
|
|
335337 |
127254199 |
1 |
N2O5C26H42 |
A2B5C26D42 |
-227.74 |
1.89 |
-8.49 |
0.18 |
0 |
|
|
335338 |
127254200 |
2 |
NO2C12H14 |
AB2C12D14 |
-124.15 |
5.25 |
-8.69 |
0.02 |
0 |
|
|
335339 |
127254201 |
1 |
NO2C16H23 |
AB2C16D23 |
-85.81 |
2.69 |
-8.68 |
0.27 |
0 |
|
|
335340 |
127254202 |
1 |
NO3C28H35 |
AB3C28D35 |
-102.11 |
4.18 |
-8.77 |
-0.03 |
0 |
|
|
335341 |
127254203 |
1 |
N2O6C25H34 |
A2B6C25D34 |
-209.18 |
6.91 |
-8.73 |
0.08 |
0 |
|
|
335342 |
127254204 |
1 |
NO4C29H37 |
AB4C29D37 |
-141.35 |
5.08 |
-7.9 |
-0.52 |
0 |
|
|
335343 |
127254205 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-165.77 |
4.76 |
-8.37 |
0.15 |
0 |
|
|
335344 |
127254206 |
1 |
NO3C19H27 |
AB3C19D27 |
-143.0 |
1.62 |
-8.7 |
0.33 |
0 |
|
|
335345 |
127254207 |
1 |
NO5C18H23 |
AB5C18D23 |
-196.06 |
3.45 |
-8.7 |
-0.02 |
0 |
|
|
335346 |
127254208 |
1 |
NO4C25H31 |
AB4C25D31 |
-148.88 |
5.37 |
-8.92 |
-0.04 |
0 |
|
|
335347 |
127254209 |
1 |
NO2C25H31 |
AB2C25D31 |
-46.81 |
1.68 |
-8.6 |
0.09 |
0 |
|
|
335348 |
127254210 |
1 |
N2O5C23H36 |
A2B5C23D36 |
-213.61 |
2.75 |
-8.57 |
0.15 |
0 |
|
|
335349 |
127254211 |
1 |
NO3C25H29 |
AB3C25D29 |
-68.05 |
2.02 |
-8.52 |
0.09 |
0 |
|
|
335350 |
127254212 |
1 |
N2O3C25H32 |
A2B3C25D32 |
-104.51 |
5.91 |
-8.83 |
0.14 |
0 |
|
|
335351 |
127254213 |
1 |
NO7C30H41 |
AB7C30D41 |
-270.29 |
6.33 |
-8.38 |
-0.05 |
0 |
|
|
335352 |
127254214 |
1 |
NO3C26H33 |
AB3C26D33 |
-89.6 |
2.79 |
-8.49 |
0.18 |
0 |
|
|
335353 |
127254215 |
2 |
NO2C11H17 |
AB2C11D17 |
-183.68 |
5.33 |
-8.55 |
0.2 |
0 |
|
|
335354 |
127254216 |
1 |
NO5C19H27 |
AB5C19D27 |
-217.67 |
2.23 |
-8.66 |
0.36 |
0 |
|
|
335355 |
127254217 |
2 |
NO2C11H17 |
AB2C11D17 |
-179.65 |
2.93 |
-8.26 |
-0.04 |
0 |
|
|
335356 |
127254218 |
1 |
NO5C25H31 |
AB5C25D31 |
-177.71 |
5.35 |
-8.8 |
-0.03 |
0 |
|
|
335357 |
127254219 |
1 |
N2O3C24H36 |
A2B3C24D36 |
-145.05 |
6.83 |
-8.61 |
0.24 |
0 |
|
|
335358 |
127254220 |
1 |
N2O5C32H46 |
A2B5C32D46 |
-204.03 |
3.31 |
-7.88 |
0.18 |
0 |
|
|
335359 |
127254221 |
1 |
NO4C24H29 |
AB4C24D29 |
-140.28 |
4.88 |
-8.73 |
-0.07 |
0 |
|
|
335360 |
127254222 |
1 |
NO4C26H31 |
AB4C26D31 |
-129.85 |
2.31 |
-8.58 |
-0.39 |
0 |
|
|
335361 |
127254223 |
1 |
NO4C26H35 |
AB4C26D35 |
-140.25 |
4.33 |
-8.4 |
0.36 |
0 |
|
|
335362 |
127254224 |
1 |
N2O4C25H32 |
A2B4C25D32 |
-142.04 |
6.97 |
-8.18 |
0.14 |
0 |
|
|
335363 |
127254225 |
1 |
NO3C24H29 |
AB3C24D29 |
-93.58 |
1.93 |
-8.57 |
0.06 |
0 |
|
|
335364 |
127254226 |
1 |
N2O3C22H34 |
A2B3C22D34 |
-148.23 |
2.97 |
-8.77 |
0.15 |
0 |
|
|
335365 |
127254227 |
1 |
NO4C22H27 |
AB4C22D27 |
-130.71 |
3.11 |
-9.07 |
-0.13 |
0 |
|
|
335366 |
127254228 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-114.13 |
6.14 |
-8.79 |
0.17 |
0 |
|
|
335367 |
127254229 |
1 |
NO3C25H33 |
AB3C25D33 |
-111.84 |
2.84 |
-8.36 |
0.43 |
0 |
|
|
335368 |
127254230 |
1 |
NO4C24H29 |
AB4C24D29 |
-137.88 |
5.07 |
-8.74 |
-0.03 |
0 |
|
|
335369 |
127254231 |
1 |
N2O5C27H36 |
A2B5C27D36 |
-174.2 |
4.55 |
-8.72 |
0.1 |
0 |
|
|
335370 |
127254232 |
1 |
NO5C26H33 |
AB5C26D33 |
-187.21 |
5.3 |
-8.88 |
0.08 |
0 |
|
|
335371 |
127254233 |
1 |
NO6C30H41 |
AB6C30D41 |
-240.32 |
0.33 |
-8.21 |
0.03 |
0 |
|
|
335372 |
127254234 |
1 |
NO5C25H31 |
AB5C25D31 |
-176.48 |
2.64 |
-8.73 |
0.1 |
0 |