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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
288200 |
104313456 |
1 |
BrN2C9H11 |
AB2C9D11 |
41.82 |
3.4 |
-9.55 |
-0.66 |
0 |
|
|
288201 |
104313486 |
1 |
BrN2C10H13 |
AB2C10D13 |
39.77 |
3.37 |
-9.61 |
-0.7 |
0 |
|
|
288202 |
104313498 |
1 |
SBr2N2H8C10 |
AB2C2D8E10 |
71.34 |
2.79 |
-9.22 |
-0.65 |
0 |
|
|
288203 |
104313501 |
1 |
BrClSN2H8C10 |
ABCD2E8F10 |
64.44 |
2.58 |
-9.35 |
-0.74 |
0 |
|
|
288204 |
104313504 |
1 |
BrN4C11H13 |
AB4C11D13 |
50.33 |
3.85 |
-8.89 |
-0.11 |
0 |
|
|
288205 |
104313510 |
1 |
BrN2C16H19 |
AB2C16D19 |
25.88 |
2.96 |
-8.72 |
-0.57 |
0 |
|
|
288206 |
104313513 |
1 |
SBr2N2H10C11 |
AB2C2D10E11 |
62.35 |
3.14 |
-9.26 |
-0.72 |
0 |
|
|
288207 |
104313516 |
1 |
BrFN2H12C13 |
ABC2D12E13 |
4.48 |
2.58 |
-9.29 |
-0.59 |
0 |
|
|
288208 |
104313519 |
1 |
BrF2N2H9C12 |
AB2C2D9E12 |
-32.23 |
3.06 |
-9.68 |
-0.67 |
0 |
|
|
288209 |
104313522 |
1 |
BrN2C14H21 |
AB2C14D21 |
2.11 |
2.84 |
-9.39 |
-0.62 |
0 |
|
|
288210 |
104313533 |
1 |
BrN3C12H12 |
AB3C12D12 |
61.01 |
5.38 |
-9.52 |
-0.79 |
0 |
|
|
288211 |
104313540 |
1 |
BrN2C13H19 |
AB2C13D19 |
5.38 |
2.94 |
-9.49 |
-0.63 |
0 |
|
|
288212 |
104313555 |
1 |
BrN2F3H12C14 |
AB2C3D12E14 |
-97.68 |
3.22 |
-9.24 |
-0.78 |
0 |
|
|
288213 |
104313609 |
1 |
BrFN2C14H14 |
ABC2D14E14 |
3.31 |
2.47 |
-9.16 |
-0.59 |
0 |
|
|
288214 |
104313615 |
1 |
BrF2N2H13C14 |
AB2C2D13E14 |
-39.86 |
1.74 |
-8.34 |
-0.55 |
0 |
|
|
288215 |
104313618 |
1 |
BrON2C12H13 |
ABC2D12E13 |
22.82 |
2.74 |
-9.15 |
-0.57 |
0 |
|
|
288216 |
104313666 |
1 |
BrN3H14C16 |
AB3C14D16 |
90.07 |
4.7 |
-9.09 |
-0.75 |
0 |
|
|
288217 |
104313669 |
1 |
BrN2C13H19 |
AB2C13D19 |
13.35 |
0.76 |
-8.25 |
-0.31 |
0 |
|
|
288218 |
104313672 |
1 |
BrN2C15H17 |
AB2C15D17 |
46.22 |
1.23 |
-8.34 |
-0.45 |
0 |
|
|
288219 |
104313684 |
1 |
BrON2C13H19 |
ABC2D13E19 |
-28.58 |
2.5 |
-8.2 |
-0.37 |
0 |
|
|
288220 |
104313687 |
2 |
BrN2C7H9 |
AB2C7D9 |
53.13 |
3.25 |
-8.19 |
-0.49 |
0 |
|
|
288221 |
104313702 |
1 |
SBr2N2C12H12 |
AB2C2D12E12 |
67.53 |
3.78 |
-9.14 |
-0.69 |
0 |
|
|
288222 |
104313711 |
1 |
BrN3H16C17 |
AB3C16D17 |
80.92 |
3.9 |
-9.1 |
-0.67 |
0 |
|
|
288223 |
104313726 |
1 |
BrN5C14H20 |
AB5C14D20 |
65.92 |
3.57 |
-9.07 |
-0.57 |
0 |
|
|
288224 |
104313735 |
1 |
BrN2O2C15H17 |
AB2C2D15E17 |
-22.94 |
2.31 |
-8.65 |
-0.56 |
0 |
|
|
288225 |
104313753 |
1 |
BrON2C16H19 |
ABC2D16E19 |
5.33 |
3.03 |
-8.65 |
-0.44 |
0 |
|
|
288226 |
104313798 |
1 |
BrN4C14H19 |
AB4C14D19 |
56.32 |
4.32 |
-8.83 |
-0.68 |
0 |
|
|
288227 |
104313804 |
1 |
BrFON2C14H14 |
ABCD2E14F14 |
-20.79 |
3.02 |
-8.83 |
-0.66 |
0 |
|
|
288228 |
104313813 |
1 |
BrON3C16H20 |
ABC3D16E20 |
16.21 |
3.63 |
-8.88 |
-0.18 |
0 |
|
|
288229 |
104313816 |
1 |
BrF2N2H11C13 |
AB2C2D11E13 |
-32.98 |
4.89 |
-9.26 |
-0.88 |
0 |
|
|
288230 |
104313840 |
1 |
FBr2N2C15H15 |
AB2C2D15E15 |
1.56 |
3.34 |
-9.22 |
-0.72 |
0 |
|
|
288231 |
104313843 |
1 |
BrSN3C16H22 |
ABC3D16E22 |
37.09 |
2.47 |
-8.9 |
-0.53 |
0 |
|
|
288232 |
104313852 |
1 |
BrClN2C15H16 |
ABC2D15E16 |
37.43 |
2.13 |
-9.12 |
-0.61 |
0 |
|
|
288233 |
104313855 |
1 |
BrN2C16H27 |
AB2C16D27 |
-15.74 |
0.64 |
-7.85 |
-0.24 |
0 |
|
|
288234 |
104313858 |
1 |
BrN2C16H27 |
AB2C16D27 |
-11.43 |
1.11 |
-8.91 |
-0.4 |
0 |
|
|
288235 |
104313867 |
1 |
BrON2C12H13 |
ABC2D12E13 |
19.75 |
1.21 |
-8.19 |
-0.4 |
0 |
|
|
288236 |
104313897 |
1 |
BrN2O2C16H17 |
AB2C2D16E17 |
-13.58 |
1.99 |
-8.44 |
-0.58 |
0 |
|
|
288237 |
104313915 |
1 |
BrN3C14H16 |
AB3C14D16 |
56.4 |
5.22 |
-9.12 |
-0.73 |
0 |
|
|
288238 |
104313963 |
1 |
BrFN2C14H14 |
ABC2D14E14 |
8.93 |
3.57 |
-9.01 |
-0.66 |
0 |
|
|
288239 |
104313984 |
1 |
BrN5C15H22 |
AB5C15D22 |
47.44 |
3.42 |
-7.73 |
-0.25 |
0 |
|
|
288240 |
104314002 |
1 |
BrN2C17H21 |
AB2C17D21 |
37.87 |
1.7 |
-8.69 |
-0.39 |
0 |
|
|
288241 |
104314023 |
1 |
BrN2C17H19 |
AB2C17D19 |
75.04 |
3.13 |
-8.71 |
-0.66 |
0 |
|
|
288242 |
104314032 |
1 |
BrSN4C14H15 |
ABC4D14E15 |
89.04 |
3.32 |
-8.72 |
-0.46 |
0 |
|
|
288243 |
104314107 |
1 |
BrN2C13H21 |
AB2C13D21 |
3.53 |
1.24 |
-8.91 |
-0.41 |
0 |
|
|
288244 |
104314125 |
1 |
FBr2N2C16H17 |
AB2C2D16E17 |
0.34 |
2.91 |
-9.19 |
-0.66 |
0 |
|
|
288245 |
104314194 |
1 |
BrFN2C15H16 |
ABC2D15E16 |
3.92 |
3.46 |
-9.04 |
-0.67 |
0 |
|
|
288246 |
104314197 |
1 |
BrN2C14H23 |
AB2C14D23 |
-6.02 |
0.47 |
-8.13 |
-0.34 |
0 |
|
|
288247 |
104314374 |
1 |
OBr2N2H8C10 |
AB2C2D8E10 |
34.28 |
1.79 |
-9.38 |
-1.06 |
0 |
|
|
288248 |
104314380 |
1 |
ON2Br3H13C14 |
AB2C3D13E14 |
18.89 |
0.97 |
-8.84 |
-1.03 |
0 |
|
|
288249 |
104314383 |
2 |
BrN2H4C5 |
AB2C4D5 |
87.53 |
1.35 |
-9.92 |
-1.23 |
0 |
|
|
288250 |
104314389 |
1 |
OBr2N2C14H18 |
AB2C2D14E18 |
-11.58 |
3.0 |
-9.48 |
-1.1 |
0 |
|
|
288251 |
104314395 |
1 |
FOBr2N2H11C13 |
ABC2D2E11F13 |
-22.15 |
2.93 |
-8.95 |
-0.98 |
0 |
|
|
288252 |
104314398 |
1 |
Br2N4C11H12 |
A2B4C11D12 |
66.96 |
4.95 |
-9.02 |
-1.08 |
0 |
|
|
288253 |
104314404 |
1 |
Br2N2C11H12 |
A2B2C11D12 |
66.48 |
2.76 |
-9.75 |
-1.08 |
0 |
|
|
288254 |
104314407 |
2 |
BrNC7H7 |
ABC7D7 |
52.37 |
1.88 |
-9.28 |
-1.05 |
0 |
|
|
288255 |
104314409 |
1 |
FBr2N3H8C11 |
AB2C3D8E11 |
28.95 |
3.52 |
-9.99 |
-1.26 |
0 |
|
|
288256 |
104314410 |
1 |
Br2Cl2N2H10C13 |
A2B2C2D10E13 |
39.73 |
0.97 |
-9.56 |
-1.07 |
0 |
|
|
288257 |
104314413 |
1 |
SN2Br3H9C11 |
AB2C3D9E11 |
55.26 |
1.44 |
-8.97 |
-1.02 |
0 |
|
|
288258 |
104314416 |
1 |
Br2N3H11C12 |
A2B3C11D12 |
63.83 |
3.07 |
-9.58 |
-1.1 |
0 |
|
|
288259 |
104314428 |
1 |
ClFBr2N2H10C13 |
ABC2D2E10F13 |
2.18 |
3.23 |
-9.49 |
-1.15 |
0 |
|
|
288260 |
104314434 |
1 |
Br2N3H11C15 |
A2B3C11D15 |
91.29 |
3.55 |
-9.38 |
-1.17 |
0 |
|
|
288261 |
104314437 |
1 |
SN2Br3H9C11 |
AB2C3D9E11 |
71.3 |
3.14 |
-9.22 |
-1.18 |
0 |
|
|
288262 |
104314440 |
2 |
BrNC8H9 |
ABC8D9 |
40.6 |
1.75 |
-8.89 |
-1.06 |
0 |
|
|
288263 |
104314455 |
1 |
Br2N2C11H14 |
A2B2C11D14 |
38.36 |
1.99 |
-9.71 |
-1.04 |
0 |
|
|
288264 |
104314458 |
1 |
Br2N5C12H15 |
A2B5C12D15 |
47.96 |
3.27 |
-9.11 |
-0.61 |
0 |
|
|
288265 |
104314461 |
2 |
BrNC5H7 |
ABC5D7 |
17.63 |
1.54 |
-9.59 |
-1.0 |
0 |
|
|
288266 |
104314464 |
1 |
Br2N3H13C14 |
A2B3C13D14 |
66.06 |
2.6 |
-9.33 |
-1.03 |
0 |
|
|
288267 |
104314473 |
2 |
BrNC5H5 |
ABC5D5 |
84.0 |
2.23 |
-9.73 |
-1.05 |
0 |
|
|
288268 |
104314476 |
2 |
BrNC7H7 |
ABC7D7 |
44.16 |
1.86 |
-9.14 |
-0.96 |
0 |
|
|
288269 |
104314479 |
1 |
Br2N2H8C9 |
A2B2C8D9 |
77.24 |
1.66 |
-9.85 |
-1.04 |
0 |
|
|
288270 |
104314500 |
1 |
Br2N4H14C15 |
A2B4C14D15 |
94.79 |
1.09 |
-8.39 |
-0.96 |
0 |
|
|
288271 |
104314502 |
1 |
Br3N4C13H15 |
A3B4C13D15 |
59.33 |
4.62 |
-7.97 |
-1.18 |
0 |
|
|
288272 |
104314506 |
1 |
ClFBr2N2H8C12 |
ABC2D2E8F12 |
8.31 |
2.18 |
-9.7 |
-1.1 |
0 |
|
|
288273 |
104314512 |
1 |
Br2N2H12C13 |
A2B2C12D13 |
54.56 |
2.09 |
-9.28 |
-0.99 |
0 |
|
|
288274 |
104314515 |
2 |
BrNC8H9 |
ABC8D9 |
32.06 |
1.87 |
-8.7 |
-1.04 |
0 |
|
|
288275 |
104314527 |
1 |
Br2N4C13H16 |
A2B4C13D16 |
38.06 |
4.73 |
-9.02 |
-0.47 |
0 |
|
|
288276 |
104314539 |
1 |
FOBr2N2H11C13 |
ABC2D2E11F13 |
-18.85 |
2.72 |
-9.0 |
-0.92 |
0 |
|
|
288277 |
104314548 |
1 |
OBr2N3C15H17 |
AB2C3D15E17 |
14.98 |
1.63 |
-9.1 |
-0.92 |
0 |
|
|
288278 |
104314554 |
2 |
BrN2C6H7 |
AB2C6D7 |
70.3 |
2.5 |
-8.07 |
-0.7 |
0 |
|
|
288279 |
104314566 |
1 |
Br2N2C9H10 |
A2B2C9D10 |
51.64 |
1.29 |
-8.42 |
-0.8 |
0 |
|
|
288280 |
104314569 |
1 |
ClBr2N4C14H17 |
AB2C4D14E17 |
56.07 |
3.19 |
-8.89 |
-0.92 |
0 |
|
|
288281 |
104314581 |
1 |
Br2N2C13H20 |
A2B2C13D20 |
7.14 |
1.3 |
-9.18 |
-0.96 |
0 |
|
|
288282 |
104314605 |
1 |
ClBr2N4H11C12 |
AB2C4D11E12 |
63.07 |
4.62 |
-8.72 |
-1.25 |
0 |
|
|
288283 |
104314608 |
1 |
FBr2N2H13C14 |
AB2C2D13E14 |
7.23 |
2.67 |
-9.22 |
-0.93 |
0 |
|
|
288284 |
104314611 |
1 |
FN2Br3H10C13 |
AB2C3D10E13 |
20.23 |
2.08 |
-9.49 |
-1.07 |
0 |
|
|
288285 |
104314614 |
2 |
BrFNH6C7 |
ABCD6E7 |
-31.77 |
3.13 |
-9.08 |
-1.05 |
0 |
|
|
288286 |
104314656 |
1 |
OBr2N2C15H16 |
AB2C2D15E16 |
11.8 |
3.04 |
-8.17 |
-0.63 |
0 |
|
|
288287 |
104314671 |
1 |
Br2N2C15H16 |
A2B2C15D16 |
49.7 |
1.35 |
-8.46 |
-0.82 |
0 |
|
|
288288 |
104314713 |
1 |
OBr2N2C12H16 |
AB2C2D12E16 |
-15.69 |
3.01 |
-9.32 |
-1.06 |
0 |
|
|
288289 |
104314740 |
2 |
BrFNH6C7 |
ABCD6E7 |
-35.81 |
2.1 |
-9.44 |
-0.98 |
0 |
|
|
288290 |
104314746 |
1 |
FBr2N2H13C14 |
AB2C2D13E14 |
9.49 |
2.5 |
-9.24 |
-0.92 |
0 |
|
|
288291 |
104314749 |
1 |
Br2F2N2H10C13 |
A2B2C2D10E13 |
-29.19 |
2.01 |
-9.49 |
-1.06 |
0 |
|
|
288292 |
104314752 |
1 |
Br2N4C13H14 |
A2B4C13D14 |
68.64 |
4.92 |
-8.41 |
-1.15 |
0 |
|
|
288293 |
104314755 |
1 |
Br2N2C15H22 |
A2B2C15D22 |
7.65 |
2.33 |
-9.07 |
-0.64 |
0 |
|
|
288294 |
104314764 |
1 |
OBr2N2C11H16 |
AB2C2D11E16 |
-22.44 |
0.42 |
-8.15 |
-0.76 |
0 |
|
|
288295 |
104314803 |
2 |
BrNC8H9 |
ABC8D9 |
42.35 |
1.72 |
-8.71 |
-0.96 |
0 |
|
|
288296 |
104314821 |
1 |
Br2N3C14H15 |
A2B3C14D15 |
64.63 |
5.06 |
-9.01 |
-1.08 |
0 |
|
|
288297 |
104314823 |
1 |
SBr2N3C13H15 |
AB2C3D13E15 |
55.53 |
1.44 |
-9.09 |
-0.9 |
0 |
|
|
288298 |
104314824 |
2 |
BrNC6H8 |
ABC6D8 |
34.61 |
1.32 |
-9.09 |
-0.86 |
0 |
|
|
288299 |
104314845 |
1 |
Br2N2C13H20 |
A2B2C13D20 |
1.16 |
1.99 |
-8.06 |
-0.64 |
0 |