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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
89248 |
49960128 |
1 |
Br2N2O3H18C26 |
A2B2C3D18E26 |
42.17 |
2.77 |
-9.07 |
-1.23 |
0 |
|
|
89249 |
49960130 |
1 |
Br2N2O3H20C23 |
A2B2C3D20E23 |
0.11 |
4.14 |
-9.01 |
-1.23 |
0 |
|
|
89250 |
49960131 |
1 |
Br2N2O3H18C22 |
A2B2C3D18E22 |
-2.58 |
3.16 |
-8.77 |
-1.07 |
0 |
|
|
89251 |
49960133 |
1 |
FBr2N2O2H11C19 |
AB2C2D2E11F19 |
7.41 |
1.8 |
-9.11 |
-1.27 |
0 |
|
|
89252 |
49960135 |
1 |
Br2N3O4H11C19 |
A2B3C4D11E19 |
52.27 |
5.37 |
-9.17 |
-2.16 |
0 |
|
|
89253 |
49960136 |
1 |
Br2N3O4H11C19 |
A2B3C4D11E19 |
57.38 |
5.48 |
-9.09 |
-1.77 |
0 |
|
|
89254 |
49960137 |
1 |
Br2Cl2N2O3H16C22 |
A2B2C2D3E16F22 |
-14.39 |
6.98 |
-8.88 |
-1.26 |
0 |
|
|
89255 |
49960138 |
1 |
N2Br3O3H13C20 |
A2B3C3D13E20 |
18.09 |
5.87 |
-9.0 |
-1.2 |
0 |
|
|
89256 |
49960139 |
1 |
Br2Cl2N2O2H10C19 |
A2B2C2D2E10F19 |
37.93 |
3.38 |
-8.98 |
-1.61 |
0 |
|
|
89257 |
49960140 |
1 |
IBr2N2O2H11C19 |
AB2C2D2E11F19 |
74.2 |
3.97 |
-9.01 |
-1.3 |
0 |
|
|
89258 |
49960141 |
1 |
Br2N2O3H14C20 |
A2B2C3D14E20 |
12.69 |
4.94 |
-9.02 |
-1.19 |
0 |
|
|
89259 |
49960142 |
1 |
ClBr2N2O3H13C20 |
AB2C2D3E13F20 |
13.13 |
4.89 |
-9.05 |
-1.23 |
0 |
|
|
89260 |
49960145 |
1 |
ClBr2N2O2H11C19 |
AB2C2D2E11F19 |
46.94 |
4.26 |
-8.98 |
-1.31 |
0 |
|
|
89261 |
49960153 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
8.18 |
5.04 |
-8.95 |
-1.04 |
0 |
|
|
89262 |
49960154 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
13.74 |
3.09 |
-9.03 |
-1.23 |
0 |
|
|
89263 |
49960158 |
1 |
Br2N2O3H14C20 |
A2B2C3D14E20 |
17.85 |
2.86 |
-8.99 |
-1.14 |
0 |
|
|
89264 |
49960163 |
1 |
Br2N4O6H10C19 |
A2B4C6D10E19 |
53.24 |
5.2 |
-9.17 |
-2.48 |
0 |
|
|
89265 |
49960169 |
1 |
SBr2N2O2H10C17 |
AB2C2D2E10F17 |
60.35 |
5.27 |
-8.95 |
-1.47 |
0 |
|
|
89266 |
49960170 |
1 |
Br2Cl2N2O3H12C20 |
A2B2C2D3E12F20 |
5.96 |
2.58 |
-9.05 |
-1.25 |
0 |
|
|
89267 |
49960171 |
2 |
BrNOH7C8 |
ABCD7E8 |
10.31 |
4.88 |
-8.95 |
-1.14 |
0 |
|
|
89268 |
49960172 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
7.05 |
5.01 |
-8.93 |
-1.13 |
0 |
|
|
89269 |
49960173 |
1 |
Br2N3O5H13C20 |
A2B3C5D13E20 |
9.8 |
7.31 |
-9.18 |
-1.48 |
0 |
|
|
89270 |
49960177 |
1 |
Br2N2O5H18C22 |
A2B2C5D18E22 |
-55.75 |
2.97 |
-8.53 |
-1.23 |
0 |
|
|
89271 |
49960178 |
1 |
Br2Cl2N2O3H14C21 |
A2B2C2D3E14F21 |
-6.46 |
4.93 |
-9.09 |
-1.24 |
0 |
|
|
89272 |
49960181 |
1 |
Br2N2O3H10C17 |
A2B2C3D10E17 |
25.43 |
4.54 |
-8.96 |
-1.37 |
0 |
|
|
89273 |
49960183 |
1 |
N2O3H18C21 |
A2B3C18D21 |
-0.38 |
5.5 |
-8.66 |
-0.64 |
0 |
|
|
89274 |
49960188 |
1 |
BrClN2O3H14C20 |
ABC2D3E14F20 |
6.81 |
3.05 |
-8.78 |
-1.13 |
0 |
|
|
89275 |
49960191 |
1 |
BrON2C12H13 |
ABC2D12E13 |
11.5 |
2.98 |
-9.47 |
-1.0 |
0 |
|
|
89276 |
49960195 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-27.42 |
1.6 |
-8.68 |
-0.91 |
0 |
|
|
89277 |
49960196 |
1 |
SN2O2H14C19 |
AB2C2D14E19 |
63.93 |
4.55 |
-8.7 |
-1.48 |
0 |
|
|
89278 |
49960207 |
1 |
BrN2O2H17C18 |
AB2C2D17E18 |
4.27 |
5.18 |
-8.79 |
-1.2 |
0 |
|
|
89279 |
49960208 |
1 |
BrN2O3H17C21 |
AB2C3D17E21 |
6.09 |
4.95 |
-8.63 |
-0.76 |
0 |
|
|
89280 |
49960212 |
1 |
ClBr2N2O2H11C16 |
AB2C2D2E11F16 |
18.79 |
5.82 |
-9.28 |
-1.36 |
0 |
|
|
89281 |
49960217 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-27.46 |
1.33 |
-8.67 |
-0.74 |
0 |
|
|
89282 |
49960245 |
1 |
BrN2O2C15H17 |
AB2C2D15E17 |
4.77 |
5.05 |
-9.04 |
-0.68 |
0 |
|
|
89283 |
49960247 |
1 |
Br2N2O3H18C19 |
A2B2C3D18E19 |
-17.52 |
5.04 |
-9.17 |
-0.9 |
0 |
|
|
89284 |
49960248 |
1 |
BrN3O5H18C19 |
AB3C5D18E19 |
-35.94 |
4.69 |
-9.16 |
-1.23 |
0 |
|
|
89285 |
49960249 |
1 |
N2Br3O3H19C20 |
A2B3C3D19E20 |
-57.13 |
7.26 |
-8.66 |
-1.04 |
0 |
|
|
89286 |
49960259 |
1 |
BrClN2O3H18C19 |
ABC2D3E18F19 |
-25.37 |
4.56 |
-8.98 |
-0.94 |
0 |
|
|
89287 |
49960260 |
1 |
BrN2O2H21C23 |
AB2C2D21E23 |
26.97 |
3.7 |
-8.9 |
-0.64 |
0 |
|
|
89288 |
49960266 |
1 |
Br2N2O3C21H22 |
A2B2C3D21E22 |
-47.23 |
2.94 |
-9.07 |
-0.88 |
0 |
|
|
89289 |
49960276 |
1 |
BrCl2N2O3H19C20 |
AB2C2D3E19F20 |
-37.42 |
3.06 |
-9.07 |
-0.97 |
0 |
|
|
89290 |
49960284 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-22.45 |
7.17 |
-8.9 |
-0.92 |
0 |
|
|
89291 |
49960290 |
1 |
ClBr2N2O3H19C20 |
AB2C2D3E19F20 |
-26.32 |
3.96 |
-9.12 |
-1.11 |
0 |
|
|
89292 |
49960296 |
1 |
BrClN2O3C21H22 |
ABC2D3E21F22 |
-48.66 |
1.37 |
-8.98 |
-0.86 |
0 |
|
|
89293 |
49960313 |
1 |
N2O3H18C22 |
A2B3C18D22 |
14.91 |
6.39 |
-8.85 |
-0.94 |
0 |
|
|
89294 |
49960321 |
1 |
ClBr2N2O3H17C19 |
AB2C2D3E17F19 |
-44.07 |
2.72 |
-9.13 |
-1.06 |
0 |
|
|
89295 |
49960326 |
1 |
BrN2O3H21C23 |
AB2C3D21E23 |
-3.77 |
4.61 |
-8.73 |
-0.91 |
0 |
|
|
89296 |
49960329 |
1 |
BrClN2O3C20H20 |
ABC2D3E20F20 |
-40.22 |
4.71 |
-9.14 |
-1.04 |
0 |
|
|
89297 |
49960336 |
1 |
BrN2O5C21H23 |
AB2C5D21E23 |
-94.41 |
5.47 |
-8.39 |
-1.07 |
0 |
|
|
89298 |
49960343 |
1 |
BrCl2N2O3C21H21 |
AB2C2D3E21F21 |
-51.53 |
2.42 |
-9.09 |
-0.78 |
0 |
|
|
89299 |
49960365 |
1 |
BrClN2O2H16C19 |
ABC2D2E16F19 |
24.96 |
5.14 |
-9.0 |
-1.3 |
0 |
|
|
89300 |
49960370 |
1 |
BrN2O2H17C19 |
AB2C2D17E19 |
34.19 |
6.06 |
-9.02 |
-1.25 |
0 |
|
|
89301 |
49960377 |
1 |
BrN2O3H15C17 |
AB2C3D15E17 |
3.13 |
4.99 |
-9.16 |
-1.27 |
0 |
|
|
89302 |
49960382 |
1 |
BrN2O4C21H21 |
AB2C4D21E21 |
-40.59 |
5.93 |
-8.48 |
-1.17 |
0 |
|
|
89303 |
49960400 |
2 |
NOC9H9 |
ABC9D9 |
9.63 |
4.03 |
-8.87 |
-0.55 |
0 |
|
|
89304 |
49960406 |
1 |
BrClN2O2H12C17 |
ABC2D2E12F17 |
35.14 |
4.48 |
-9.22 |
-1.36 |
0 |
|
|
89305 |
49960407 |
1 |
ClBr2N2O3H15C18 |
AB2C2D3E15F18 |
-22.09 |
5.16 |
-9.32 |
-1.14 |
0 |
|
|
89306 |
49960422 |
1 |
BrClN2O2C12H12 |
ABC2D2E12F12 |
-18.25 |
4.16 |
-9.28 |
-0.81 |
0 |
|
|
89307 |
49960423 |
1 |
BrClN2O3H10C15 |
ABC2D3E10F15 |
6.82 |
4.45 |
-9.25 |
-1.5 |
0 |
|
|
89308 |
49960430 |
1 |
BrN2O2H19C22 |
AB2C2D19E22 |
29.58 |
1.26 |
-9.01 |
-0.69 |
0 |
|
|
89309 |
49960435 |
1 |
ON2C15H20 |
AB2C15D20 |
-5.55 |
4.68 |
-9.26 |
-0.72 |
0 |
|
|
89310 |
49960436 |
1 |
ON2H18C22 |
AB2C18D22 |
76.84 |
5.34 |
-8.98 |
-0.94 |
0 |
|
|
89311 |
49960438 |
1 |
BrN2O2C13H15 |
AB2C2D13E15 |
-20.07 |
4.15 |
-9.09 |
-0.74 |
0 |
|
|
89312 |
49960442 |
1 |
BrClN2O2H18C19 |
ABC2D2E18F19 |
1.37 |
5.23 |
-9.23 |
-1.1 |
0 |
|
|
89313 |
49960452 |
1 |
BrN2O3H17C19 |
AB2C3D17E19 |
-4.65 |
6.89 |
-9.01 |
-1.21 |
0 |
|
|
89314 |
49960453 |
1 |
N2O2H24C25 |
A2B2C24D25 |
28.67 |
4.96 |
-8.83 |
-1.01 |
0 |
|
|
89315 |
49960460 |
1 |
ON2C21H22 |
AB2C21D22 |
41.19 |
5.59 |
-8.91 |
-1.05 |
0 |
|
|
89316 |
49960462 |
2 |
BrNOH6C8 |
ABCD6E8 |
29.25 |
4.8 |
-9.07 |
-1.21 |
0 |
|
|
89317 |
49960463 |
1 |
BrN2O4H19C20 |
AB2C4D19E20 |
-40.73 |
4.8 |
-8.58 |
-1.03 |
0 |
|
|
89318 |
49960464 |
1 |
Br2N2O3H18C19 |
A2B2C3D18E19 |
-23.06 |
7.97 |
-9.01 |
-0.85 |
0 |
|
|
89319 |
49960465 |
1 |
ON2C14H18 |
AB2C14D18 |
-0.26 |
4.79 |
-9.27 |
-0.73 |
0 |
|
|
89320 |
49960474 |
1 |
BrN2O2C20H21 |
AB2C2D20E21 |
0.06 |
4.97 |
-8.97 |
-0.97 |
0 |
|
|
89321 |
49960475 |
1 |
BrN2O2H23C25 |
AB2C2D23E25 |
40.94 |
5.02 |
-9.02 |
-0.99 |
0 |
|
|
89322 |
49960478 |
1 |
BrFN2O2H20C21 |
ABC2D2E20F21 |
-24.12 |
4.84 |
-9.04 |
-1.32 |
0 |
|
|
89323 |
49960488 |
1 |
BrN2O3C24H29 |
AB2C3D24E29 |
-50.22 |
4.19 |
-8.83 |
-0.7 |
0 |
|
|
89324 |
49960501 |
1 |
BrN2O3C22H23 |
AB2C3D22E23 |
-18.19 |
3.72 |
-8.92 |
-1.0 |
0 |
|
|
89325 |
49960502 |
1 |
BrN2O3C20H21 |
AB2C3D20E21 |
-27.57 |
7.34 |
-8.87 |
-0.93 |
0 |
|
|
89326 |
49960504 |
1 |
N2Br3O3H19C20 |
A2B3C3D19E20 |
-18.03 |
1.66 |
-9.07 |
-1.13 |
0 |
|
|
89327 |
49960523 |
2 |
BrNO2H6C9 |
ABC2D6E9 |
-33.19 |
5.58 |
-8.78 |
-1.09 |
0 |
|
|
89328 |
49960526 |
2 |
NBr2O2H9C12 |
AB2C2D9E12 |
-55.38 |
3.43 |
-9.21 |
-0.85 |
0 |
|
|
89329 |
49960527 |
2 |
NO3C13H13 |
AB3C13D13 |
-140.1 |
7.37 |
-8.63 |
-0.22 |
0 |
|
|
89330 |
49960528 |
2 |
NOC8H9 |
ABC8D9 |
-17.38 |
6.7 |
-8.48 |
0.01 |
0 |
|
|
89331 |
49960529 |
2 |
NOC11H15 |
ABC11D15 |
-92.94 |
6.24 |
-8.38 |
0.16 |
0 |
|
|
89332 |
49960530 |
2 |
BrNO2H10C12 |
ABC2D10E12 |
-64.76 |
2.68 |
-8.93 |
-0.53 |
0 |
|
|
89333 |
49960531 |
4 |
NO2H5C6 |
AB2C5D6 |
-80.85 |
8.23 |
-9.25 |
-1.57 |
0 |
|
|
89334 |
49960533 |
2 |
NBr2O2H11C13 |
AB2C2D11E13 |
-94.56 |
5.92 |
-8.78 |
-1.07 |
0 |
|
|
89335 |
49960534 |
2 |
NO2H13C14 |
AB2C13D14 |
-52.01 |
3.49 |
-8.54 |
-0.54 |
0 |
|
|
89336 |
49960538 |
2 |
ClN2O3H7C11 |
AB2C3D7E11 |
-12.29 |
3.39 |
-9.28 |
-1.95 |
0 |
|
|
89337 |
49960542 |
2 |
ClNO2H10C12 |
ABC2D10E12 |
-86.39 |
3.98 |
-8.75 |
-0.42 |
0 |
|
|
89338 |
49960551 |
1 |
OSN2C18H20 |
ABC2D18E20 |
-3.86 |
2.98 |
-8.69 |
-0.36 |
0 |
|
|
89339 |
49960554 |
2 |
NO3C15H15 |
AB3C15D15 |
-118.4 |
8.3 |
-8.44 |
-0.74 |
0 |
|
|
89340 |
49960577 |
2 |
NO2H15C18 |
AB2C15D18 |
-22.37 |
4.95 |
-8.78 |
-0.33 |
0 |
|
|
89341 |
49960578 |
2 |
NO3C10H11 |
AB3C10D11 |
-197.36 |
2.26 |
-9.02 |
-1.06 |
0 |
|
|
89342 |
49960579 |
2 |
NOCl2H7C11 |
ABC2D7E11 |
-27.17 |
3.93 |
-8.78 |
-1.05 |
0 |
|
|
89343 |
49960594 |
2 |
NO3H9C12 |
AB3C9D12 |
-154.3 |
10.83 |
-9.19 |
-1.32 |
0 |
|
|
89344 |
49960595 |
2 |
NO3H7C8 |
AB3C7D8 |
-175.12 |
3.38 |
-9.15 |
-1.12 |
0 |
|
|
89345 |
49960596 |
2 |
NOC13H13 |
ABC13D13 |
-19.82 |
6.12 |
-8.51 |
-0.01 |
0 |
|
|
89346 |
49960604 |
1 |
BrClN3O3C17H17 |
ABC3D3E17F17 |
-68.75 |
5.45 |
-9.2 |
-0.49 |
0 |
|
|
89347 |
49960607 |
1 |
SN3O4C25H27 |
AB3C4D25E27 |
-85.01 |
8.25 |
-8.5 |
-0.78 |
0 |