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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
284300 |
104041004 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-104.52 |
5.02 |
-8.76 |
1.31 |
0 |
|
|
284301 |
104041206 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-118.12 |
4.57 |
-9.28 |
-0.51 |
0 |
|
|
284302 |
104041207 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-118.77 |
4.57 |
-9.27 |
-0.47 |
0 |
|
|
284303 |
104041348 |
1 |
Cl2N2O3C11H14 |
A2B2C3D11E14 |
-107.16 |
4.9 |
-9.87 |
-1.13 |
0 |
|
|
284304 |
104041463 |
1 |
SN2O2C10H18 |
AB2C2D10E18 |
-70.74 |
1.87 |
-8.24 |
0.1 |
0 |
|
|
284305 |
104041488 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-65.49 |
2.29 |
-8.67 |
0.24 |
0 |
|
|
284306 |
104041586 |
1 |
ClSN2O4C12H15 |
ABC2D4E12F15 |
-110.73 |
4.22 |
-10.15 |
-1.62 |
0 |
|
|
284307 |
104041728 |
1 |
NF2O3C13H19 |
AB2C3D13E19 |
-212.64 |
5.24 |
-9.04 |
-0.15 |
0 |
|
|
284308 |
104041975 |
1 |
NO3C10H21 |
AB3C10D21 |
-140.55 |
2.98 |
-9.1 |
1.59 |
0 |
|
|
284309 |
104042101 |
1 |
NC14H25 |
AB14C25 |
-2.68 |
2.49 |
-8.7 |
2.07 |
0 |
|
|
284310 |
104042124 |
1 |
FON2C12H15 |
ABC2D12E15 |
-53.85 |
2.79 |
-9.63 |
-1.1 |
0 |
|
|
284311 |
104042658 |
1 |
ClSN3O3H10C13 |
ABC3D3E10F13 |
-58.67 |
5.9 |
-8.72 |
-1.63 |
0 |
|
|
284312 |
104042782 |
1 |
S2N3O3H7C8 |
A2B3C3D7E8 |
-57.51 |
8.73 |
-8.65 |
-2.1 |
0 |
|
|
284313 |
104042845 |
1 |
SN3O3C13H19 |
AB3C3D13E19 |
-94.25 |
5.28 |
-8.68 |
-1.71 |
0 |
|
|
284314 |
104042849 |
1 |
BrFSN2O3H8C13 |
ABCD2E3F8G13 |
-89.85 |
5.93 |
-9.88 |
-1.87 |
0 |
|
|
284315 |
104042854 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-39.35 |
3.2 |
-8.59 |
-1.64 |
0 |
|
|
284316 |
104042860 |
1 |
S2O3N5H7C9 |
A2B3C5D7E9 |
-15.29 |
9.13 |
-9.28 |
-1.85 |
0 |
|
|
284317 |
104042869 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-35.66 |
5.76 |
-8.72 |
-1.77 |
0 |
|
|
284318 |
104042916 |
1 |
ON2C16H24 |
AB2C16D24 |
-49.19 |
3.08 |
-9.31 |
0.1 |
0 |
|
|
284319 |
104042946 |
2 |
NOC8H11 |
ABC8D11 |
-75.3 |
2.05 |
-9.26 |
0.25 |
0 |
|
|
284320 |
104042947 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-30.74 |
5.49 |
-9.36 |
-1.0 |
0 |
|
|
284321 |
104042949 |
1 |
ON3C16H17 |
AB3C16D17 |
14.78 |
4.76 |
-9.16 |
-0.73 |
0 |
|
|
284322 |
104042950 |
1 |
ON2C15H22 |
AB2C15D22 |
-46.1 |
3.35 |
-9.29 |
0.09 |
0 |
|
|
284323 |
104042951 |
1 |
ION2C17H17 |
ABC2D17E17 |
19.99 |
4.91 |
-9.13 |
-1.23 |
0 |
|
|
284324 |
104043335 |
2 |
N2C7H8 |
A2B7C8 |
62.8 |
2.51 |
-8.94 |
-0.24 |
0 |
|
|
284325 |
104043351 |
1 |
BrN3C16H18 |
AB3C16D18 |
51.99 |
1.64 |
-8.78 |
-0.41 |
0 |
|
|
284326 |
104043430 |
2 |
O2C6H11 |
A2B6C11 |
-211.98 |
1.54 |
-9.55 |
0.7 |
0 |
|
|
284327 |
104043477 |
1 |
NO2F3C15H20 |
AB2C3D15E20 |
-249.42 |
5.77 |
-9.41 |
-0.36 |
0 |
|
|
284328 |
104043509 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-78.5 |
1.46 |
-8.68 |
0.82 |
0 |
|
|
284329 |
104043621 |
1 |
FN2O3C15H21 |
AB2C3D15E21 |
-178.92 |
1.13 |
-8.58 |
-0.14 |
0 |
|
|
284330 |
104043682 |
1 |
ClNO2C15H22 |
ABC2D15E22 |
-99.84 |
1.11 |
-9.31 |
-0.24 |
0 |
|
|
284331 |
104043778 |
1 |
NO3C16H25 |
AB3C16D25 |
-127.09 |
1.9 |
-8.88 |
0.27 |
0 |
|
|
284332 |
104043802 |
1 |
NO4C14H19 |
AB4C14D19 |
-174.75 |
4.46 |
-9.82 |
-0.75 |
0 |
|
|
284333 |
104043862 |
1 |
NO2C14H29 |
AB2C14D29 |
-134.84 |
1.45 |
-8.83 |
2.01 |
0 |
|
|
284334 |
104044313 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-95.47 |
2.98 |
-9.05 |
0.01 |
0 |
|
|
284335 |
104044488 |
1 |
NO3C12H23 |
AB3C12D23 |
-165.81 |
3.21 |
-9.33 |
0.96 |
0 |
|
|
284336 |
104044596 |
1 |
NO3C17H25 |
AB3C17D25 |
-144.68 |
2.71 |
-8.3 |
0.47 |
0 |
|
|
284337 |
104044614 |
1 |
NSO3C13H23 |
ABC3D13E23 |
-158.26 |
2.19 |
-8.71 |
0.56 |
0 |
|
|
284338 |
104044625 |
1 |
NO3C16H21 |
AB3C16D21 |
-125.95 |
2.18 |
-9.45 |
-0.67 |
0 |
|
|
284339 |
104045114 |
1 |
NO4C15H29 |
AB4C15D29 |
-221.91 |
3.87 |
-9.44 |
0.68 |
0 |
|
|
284340 |
104045126 |
1 |
NO4C16H29 |
AB4C16D29 |
-192.57 |
1.92 |
-9.34 |
0.78 |
0 |
|
|
284341 |
104045137 |
1 |
BrO3C16H23 |
AB3C16D23 |
-129.92 |
1.28 |
-8.79 |
-0.16 |
0 |
|
|
284342 |
104045174 |
1 |
ClNO2C17H26 |
ABC2D17E26 |
-102.85 |
2.18 |
-9.01 |
-0.17 |
0 |
|
|
284343 |
104045206 |
1 |
NO2C17H33 |
AB2C17D33 |
-141.75 |
1.6 |
-9.07 |
2.11 |
0 |
|
|
284344 |
104045263 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-58.39 |
4.65 |
-8.92 |
-0.29 |
0 |
|
|
284345 |
104045274 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-84.48 |
2.76 |
-8.99 |
-0.07 |
0 |
|
|
284346 |
104045280 |
1 |
SO2N3C13H21 |
AB2C3D13E21 |
-39.92 |
2.35 |
-9.25 |
-0.97 |
0 |
|
|
284347 |
104045505 |
1 |
NO2C17H27 |
AB2C17D27 |
-92.13 |
3.68 |
-8.84 |
0.29 |
0 |
|
|
284348 |
104045583 |
1 |
NO2C14H29 |
AB2C14D29 |
-136.57 |
2.93 |
-9.02 |
2.11 |
0 |
|
|
284349 |
104045710 |
1 |
ClSO4C12H23 |
ABC4D12E23 |
-219.71 |
5.91 |
-10.12 |
-0.97 |
0 |
|
|
284350 |
104045748 |
1 |
NO3C15H31 |
AB3C15D31 |
-182.46 |
3.6 |
-9.19 |
1.93 |
0 |
|
|
284351 |
104045824 |
1 |
BrNSO6C12H16 |
ABCD6E12F16 |
-223.9 |
4.53 |
-10.0 |
-1.45 |
0 |
|
|
284352 |
104045826 |
1 |
ClNS2C10H10 |
ABC2D10E10 |
40.59 |
2.36 |
-9.08 |
-1.18 |
0 |
|
|
284353 |
104045828 |
1 |
NSCl2C13H13 |
ABC2D13E13 |
17.69 |
1.62 |
-9.38 |
-0.58 |
0 |
|
|
284354 |
104045832 |
1 |
ClNOSC10H16 |
ABCDE10F16 |
-46.9 |
3.54 |
-9.12 |
-0.32 |
0 |
|
|
284355 |
104045833 |
1 |
NSCl2H11C12 |
ABC2D11E12 |
26.97 |
3.03 |
-9.3 |
-0.9 |
0 |
|
|
284356 |
104045835 |
1 |
ClFNSC13H13 |
ABCDE13F13 |
-22.3 |
2.56 |
-9.32 |
-0.92 |
0 |
|
|
284357 |
104045839 |
1 |
FNSCl2H10C12 |
ABCD2E10F12 |
-23.17 |
1.48 |
-9.23 |
-1.33 |
0 |
|
|
284358 |
104045840 |
1 |
NS2O5C13H19 |
AB2C5D13E19 |
-214.16 |
1.74 |
-9.89 |
-1.24 |
0 |
|
|
284359 |
104045841 |
1 |
ClNOSH12C14 |
ABCDE12F14 |
20.34 |
2.21 |
-8.97 |
-1.25 |
0 |
|
|
284360 |
104045843 |
1 |
ClFNSC15H17 |
ABCDE15F17 |
-28.96 |
2.32 |
-9.26 |
-0.46 |
0 |
|
|
284361 |
104045846 |
1 |
NS2O5C13H19 |
AB2C5D13E19 |
-205.64 |
5.41 |
-9.59 |
-1.09 |
0 |
|
|
284362 |
104045848 |
1 |
BrClNS2C13H13 |
ABCD2E13F13 |
37.97 |
1.03 |
-8.77 |
-0.66 |
0 |
|
|
284363 |
104045849 |
1 |
ClOSN2C12H19 |
ABCD2E12F19 |
-38.36 |
3.19 |
-8.87 |
-0.4 |
0 |
|
|
284364 |
104045851 |
1 |
ClFNOSC13H13 |
ABCDEF13G13 |
-51.24 |
5.45 |
-8.87 |
-0.82 |
0 |
|
|
284365 |
104045854 |
1 |
BrClSN2H12C15 |
ABCD2E12F15 |
60.36 |
3.83 |
-8.93 |
-1.43 |
0 |
|
|
284366 |
104045856 |
1 |
ClNS3C12H18 |
ABC3D12E18 |
-2.81 |
2.33 |
-8.92 |
-0.54 |
0 |
|
|
284367 |
104045858 |
1 |
O3C14H24 |
A3B14C24 |
-153.32 |
2.71 |
-9.81 |
0.61 |
0 |
|
|
284368 |
104045860 |
1 |
ClNSF3C7H7 |
ABCD3E7F7 |
-146.44 |
1.83 |
-9.95 |
-1.36 |
0 |
|
|
284369 |
104045862 |
1 |
ClNSC8H12 |
ABCD8E12 |
-4.18 |
2.36 |
-9.24 |
-0.37 |
0 |
|
|
284370 |
104045863 |
1 |
O3C13H22 |
A3B13C22 |
-151.53 |
2.84 |
-9.85 |
0.64 |
0 |
|
|
284371 |
104046039 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-65.26 |
1.84 |
-8.96 |
-0.04 |
0 |
|
|
284372 |
104046182 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-81.62 |
3.11 |
-9.04 |
0.03 |
0 |
|
|
284373 |
104046183 |
1 |
O3N4C12H20 |
A3B4C12D20 |
-100.78 |
1.89 |
-9.57 |
-0.04 |
0 |
|
|
284374 |
104046184 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-112.59 |
2.76 |
-9.5 |
0.06 |
0 |
|
|
284375 |
104046194 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-117.1 |
5.01 |
-9.89 |
0.03 |
0 |
|
|
284376 |
104046195 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-101.11 |
2.73 |
-8.91 |
0.24 |
0 |
|
|
284377 |
104046196 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-94.33 |
1.72 |
-9.09 |
0.13 |
0 |
|
|
284378 |
104046201 |
1 |
O2N7C12H17 |
A2B7C12D17 |
7.65 |
2.48 |
-10.05 |
-1.2 |
0 |
|
|
284379 |
104046202 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-111.56 |
5.23 |
-9.59 |
0.02 |
0 |
|
|
284380 |
104046403 |
1 |
NO2C14H25 |
AB2C14D25 |
-101.16 |
3.03 |
-9.19 |
0.74 |
0 |
|
|
284381 |
104046404 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-60.51 |
3.91 |
-9.43 |
-0.11 |
0 |
|
|
284382 |
104046414 |
1 |
NSO2C14H19 |
ABC2D14E19 |
-46.71 |
2.52 |
-8.59 |
-0.12 |
0 |
|
|
284383 |
104046415 |
2 |
NOC7H8 |
ABC7D8 |
-22.43 |
4.73 |
-8.72 |
-0.03 |
0 |
|
|
284384 |
104046416 |
1 |
N2O3C8H14 |
A2B3C8D14 |
-116.15 |
4.65 |
-9.88 |
0.31 |
0 |
|
|
284385 |
104046417 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-129.47 |
2.31 |
-9.8 |
0.4 |
0 |
|
|
284386 |
104046420 |
1 |
NO3C15H21 |
AB3C15D21 |
-92.36 |
0.88 |
-8.77 |
0.34 |
0 |
|
|
284387 |
104046421 |
1 |
N2O4C11H20 |
A2B4C11D20 |
-157.71 |
4.2 |
-9.57 |
0.46 |
0 |
|
|
284388 |
104046423 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-120.73 |
2.91 |
-9.89 |
0.37 |
0 |
|
|
284389 |
104046424 |
1 |
NF2O2C12H13 |
AB2C2D12E13 |
-145.24 |
3.6 |
-9.12 |
-0.16 |
0 |
|
|
284390 |
104046425 |
1 |
NO2C15H19 |
AB2C15D19 |
-53.91 |
1.73 |
-9.03 |
0.35 |
0 |
|
|
284391 |
104046426 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-78.13 |
2.42 |
-9.2 |
-0.15 |
0 |
|
|
284392 |
104046428 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-118.85 |
5.2 |
-9.33 |
0.42 |
0 |
|
|
284393 |
104046430 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-73.13 |
2.07 |
-8.63 |
-0.22 |
0 |
|
|
284394 |
104046431 |
1 |
BrNSO2C12H16 |
ABCD2E12F16 |
-40.65 |
2.57 |
-9.36 |
-0.45 |
0 |
|
|
284395 |
104046432 |
1 |
NF3O3C13H14 |
AB3C3D13E14 |
-251.6 |
4.44 |
-8.92 |
-0.45 |
0 |
|
|
284396 |
104046433 |
1 |
NF2O4C13H13 |
AB2C4D13E13 |
-224.09 |
4.76 |
-8.82 |
-0.5 |
0 |
|
|
284397 |
104046434 |
1 |
NO2C14H15 |
AB2C14D15 |
6.96 |
2.25 |
-8.73 |
-0.25 |
0 |
|
|
284398 |
104046435 |
1 |
NF3O3C13H14 |
AB3C3D13E14 |
-253.82 |
4.32 |
-8.98 |
-0.19 |
0 |
|
|
284399 |
104046436 |
1 |
NF3O3C10H16 |
AB3C3D10E16 |
-276.67 |
3.68 |
-9.53 |
0.53 |
0 |