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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74252 |
48421635 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-78.07 |
6.52 |
-9.1 |
-0.41 |
0 |
|
|
74253 |
48421636 |
2 |
NOC6H8 |
ABC6D8 |
-43.15 |
5.44 |
-9.11 |
-0.34 |
0 |
|
|
74254 |
48421637 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-161.8 |
3.79 |
-8.75 |
0.15 |
0 |
|
|
74255 |
48421638 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-128.28 |
3.36 |
-8.82 |
1.06 |
0 |
|
|
74256 |
48421640 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-98.24 |
2.18 |
-9.47 |
-0.36 |
0 |
|
|
74257 |
48421642 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-261.54 |
5.72 |
-9.48 |
-0.34 |
0 |
|
|
74258 |
48421644 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-162.15 |
2.77 |
-8.44 |
0.0 |
0 |
|
|
74259 |
48421646 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-172.2 |
6.17 |
-8.83 |
0.17 |
0 |
|
|
74260 |
48421647 |
2 |
NO2C9H11 |
AB2C9D11 |
-130.55 |
3.43 |
-8.99 |
0.13 |
0 |
|
|
74261 |
48421648 |
1 |
NO3C14H21 |
AB3C14D21 |
-96.1 |
3.38 |
-8.98 |
0.46 |
0 |
|
|
74262 |
48421649 |
2 |
NO2C11H13 |
AB2C11D13 |
-107.91 |
4.65 |
-9.05 |
-0.1 |
0 |
|
|
74263 |
48421650 |
1 |
NO3C18H25 |
AB3C18D25 |
-79.52 |
4.75 |
-8.79 |
0.23 |
0 |
|
|
74264 |
48421651 |
1 |
NO4C17H25 |
AB4C17D25 |
-126.17 |
5.94 |
-8.89 |
-0.08 |
0 |
|
|
74265 |
48421653 |
1 |
ClFNO2C15H19 |
ABCD2E15F19 |
-106.88 |
4.12 |
-9.36 |
-0.38 |
0 |
|
|
74266 |
48421654 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-120.47 |
2.4 |
-9.48 |
-0.35 |
0 |
|
|
74267 |
48421655 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-98.9 |
0.73 |
-9.52 |
-0.23 |
0 |
|
|
74268 |
48421656 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-165.3 |
3.94 |
-9.75 |
-0.11 |
0 |
|
|
74269 |
48421657 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-100.11 |
1.36 |
-9.5 |
-0.21 |
0 |
|
|
74270 |
48421658 |
1 |
NO4C17H25 |
AB4C17D25 |
-134.47 |
5.09 |
-8.77 |
0.23 |
0 |
|
|
74271 |
48421660 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-217.85 |
5.18 |
-9.67 |
-0.61 |
0 |
|
|
74272 |
48421663 |
1 |
N3O5C20H27 |
A3B5C20D27 |
-198.51 |
2.49 |
-9.31 |
0.27 |
0 |
|
|
74273 |
48421664 |
2 |
NO2C8H13 |
AB2C8D13 |
-163.75 |
1.53 |
-9.15 |
0.65 |
0 |
|
|
74274 |
48421665 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-89.64 |
5.63 |
-9.24 |
-0.28 |
0 |
|
|
74275 |
48421666 |
1 |
ClNO2C15H20 |
ABC2D15E20 |
-65.27 |
3.51 |
-9.52 |
-0.21 |
0 |
|
|
74276 |
48421667 |
3 |
NOC6H7 |
ABC6D7 |
-79.69 |
2.62 |
-9.59 |
-0.28 |
0 |
|
|
74277 |
48421668 |
2 |
NOC7H10 |
ABC7D10 |
-45.02 |
4.22 |
-9.5 |
-0.24 |
0 |
|
|
74278 |
48421669 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-98.95 |
4.41 |
-9.48 |
-0.4 |
0 |
|
|
74279 |
48421670 |
1 |
ClNO3C16H22 |
ABC3D16E22 |
-105.88 |
1.77 |
-8.94 |
-0.2 |
0 |
|
|
74280 |
48421671 |
1 |
N2O5C15H20 |
A2B5C15D20 |
-208.79 |
2.12 |
-9.57 |
0.17 |
0 |
|
|
74281 |
48421672 |
2 |
NO2C8H9 |
AB2C8D9 |
-122.16 |
3.29 |
-9.49 |
0.06 |
0 |
|
|
74282 |
48421673 |
1 |
NO3C12H17 |
AB3C12D17 |
-86.74 |
2.5 |
-9.42 |
0.26 |
0 |
|
|
74283 |
48421675 |
2 |
NOC6H12 |
ABC6D12 |
-86.86 |
2.3 |
-8.58 |
1.15 |
0 |
|
|
74284 |
48421676 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-163.87 |
4.44 |
-8.59 |
-0.03 |
0 |
|
|
74285 |
48421677 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-113.43 |
2.13 |
-8.7 |
0.16 |
0 |
|
|
74286 |
48421679 |
2 |
NO2C7H10 |
AB2C7D10 |
-158.2 |
4.3 |
-9.62 |
0.1 |
0 |
|
|
74287 |
48421680 |
1 |
NO3C10H19 |
AB3C10D19 |
-124.24 |
2.03 |
-9.71 |
1.0 |
0 |
|
|
74288 |
48421681 |
1 |
NO2C16H21 |
AB2C16D21 |
-55.9 |
2.87 |
-9.2 |
0.19 |
0 |
|
|
74289 |
48421682 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-127.76 |
2.98 |
-8.75 |
0.1 |
0 |
|
|
74290 |
48421683 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-94.01 |
1.74 |
-8.63 |
1.01 |
0 |
|
|
74291 |
48421684 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-168.18 |
1.63 |
-9.37 |
0.25 |
0 |
|
|
74292 |
48421685 |
1 |
NO3C13H23 |
AB3C13D23 |
-135.78 |
2.39 |
-9.2 |
0.74 |
0 |
|
|
74293 |
48421686 |
1 |
NO2C12H23 |
AB2C12D23 |
-103.14 |
2.86 |
-9.68 |
1.09 |
0 |
|
|
74294 |
48421687 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-121.55 |
3.18 |
-8.89 |
0.11 |
0 |
|
|
74295 |
48421688 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-135.85 |
2.88 |
-9.68 |
-0.03 |
0 |
|
|
74296 |
48421689 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-91.19 |
1.94 |
-9.43 |
0.14 |
0 |
|
|
74297 |
48421690 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-136.39 |
2.07 |
-9.41 |
0.31 |
0 |
|
|
74298 |
48421691 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-113.54 |
4.12 |
-9.03 |
0.26 |
0 |
|
|
74299 |
48421692 |
1 |
N2O2C11H22 |
A2B2C11D22 |
-83.11 |
2.65 |
-8.69 |
1.01 |
0 |
|
|
74300 |
48421694 |
2 |
NO2C8H11 |
AB2C8D11 |
-166.28 |
1.55 |
-9.53 |
0.2 |
0 |
|
|
74301 |
48421695 |
1 |
NO3C12H21 |
AB3C12D21 |
-131.49 |
2.07 |
-9.44 |
0.98 |
0 |
|
|
74302 |
48421696 |
2 |
NO2C10H12 |
AB2C10D12 |
-131.4 |
2.97 |
-8.91 |
0.03 |
0 |
|
|
74303 |
48421697 |
1 |
NO3C16H23 |
AB3C16D23 |
-94.51 |
3.16 |
-8.83 |
0.19 |
0 |
|
|
74304 |
48421698 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-138.84 |
2.76 |
-9.5 |
-0.12 |
0 |
|
|
74305 |
48421699 |
1 |
NO4C11H19 |
AB4C11D19 |
-172.84 |
2.6 |
-9.93 |
0.7 |
0 |
|
|
74306 |
48421700 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-96.75 |
2.97 |
-8.99 |
-0.02 |
0 |
|
|
74307 |
48421701 |
2 |
NO2C10H12 |
AB2C10D12 |
-131.04 |
3.97 |
-8.94 |
0.09 |
0 |
|
|
74308 |
48421702 |
2 |
NO2C10H12 |
AB2C10D12 |
-140.16 |
3.51 |
-8.51 |
0.03 |
0 |
|
|
74309 |
48421703 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-104.28 |
2.49 |
-9.21 |
0.24 |
0 |
|
|
74310 |
48421704 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-170.9 |
2.75 |
-8.56 |
0.14 |
0 |
|
|
74311 |
48421705 |
1 |
NO3C17H25 |
AB3C17D25 |
-102.51 |
1.96 |
-8.69 |
0.27 |
0 |
|
|
74312 |
48421706 |
1 |
NO3C16H23 |
AB3C16D23 |
-101.2 |
3.57 |
-8.8 |
0.08 |
0 |
|
|
74313 |
48421707 |
1 |
NO4C16H23 |
AB4C16D23 |
-128.14 |
2.74 |
-8.34 |
0.25 |
0 |
|
|
74314 |
48421708 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-58.69 |
5.83 |
-9.09 |
0.82 |
0 |
|
|
74315 |
48421710 |
1 |
NO2C17H25 |
AB2C17D25 |
-67.7 |
3.01 |
-9.14 |
0.3 |
0 |
|
|
74316 |
48421711 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-135.97 |
1.79 |
-9.48 |
-0.23 |
0 |
|
|
74317 |
48421712 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-102.66 |
4.33 |
-9.51 |
-0.11 |
0 |
|
|
74318 |
48421714 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-83.31 |
2.17 |
-9.31 |
-0.38 |
0 |
|
|
74319 |
48421715 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-117.98 |
3.26 |
-9.18 |
0.08 |
0 |
|
|
74320 |
48421716 |
1 |
NO3C15H21 |
AB3C15D21 |
-87.96 |
2.37 |
-8.96 |
0.25 |
0 |
|
|
74321 |
48421717 |
1 |
NO4C17H23 |
AB4C17D23 |
-134.6 |
3.06 |
-8.65 |
0.09 |
0 |
|
|
74322 |
48421718 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-137.19 |
4.49 |
-8.76 |
0.2 |
0 |
|
|
74323 |
48421719 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-167.52 |
2.93 |
-8.43 |
-0.02 |
0 |
|
|
74324 |
48421723 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-136.31 |
4.48 |
-9.61 |
0.6 |
0 |
|
|
74325 |
48421724 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-83.21 |
4.63 |
-8.96 |
0.0 |
0 |
|
|
74326 |
48421726 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-167.1 |
3.94 |
-8.85 |
0.11 |
0 |
|
|
74327 |
48421728 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-163.97 |
4.76 |
-8.77 |
-0.08 |
0 |
|
|
74328 |
48421729 |
1 |
NO4C16H21 |
AB4C16D21 |
-129.97 |
2.94 |
-8.73 |
0.01 |
0 |
|
|
74329 |
48421730 |
1 |
NSO2C16H23 |
ABC2D16E23 |
-60.8 |
2.33 |
-8.81 |
-0.25 |
0 |
|
|
74330 |
48421731 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-99.57 |
2.01 |
-9.13 |
0.21 |
0 |
|
|
74331 |
48421733 |
1 |
NO2C18H27 |
AB2C18D27 |
-72.1 |
4.69 |
-9.22 |
0.22 |
0 |
|
|
74332 |
48421734 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-135.01 |
1.04 |
-9.45 |
-0.2 |
0 |
|
|
74333 |
48421735 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-99.42 |
3.83 |
-9.36 |
-0.08 |
0 |
|
|
74334 |
48421736 |
2 |
NOC8H15 |
ABC8D15 |
-99.33 |
3.07 |
-8.7 |
1.32 |
0 |
|
|
74335 |
48421737 |
1 |
ClNO2C15H20 |
ABC2D15E20 |
-70.43 |
4.16 |
-9.52 |
-0.29 |
0 |
|
|
74336 |
48421738 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-150.96 |
3.0 |
-9.75 |
-0.06 |
0 |
|
|
74337 |
48421739 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-114.34 |
1.63 |
-9.66 |
0.4 |
0 |
|
|
74338 |
48421740 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-145.68 |
2.49 |
-9.53 |
-0.2 |
0 |
|
|
74339 |
48421741 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-111.56 |
3.39 |
-9.62 |
-0.12 |
0 |
|
|
74340 |
48421742 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-91.21 |
2.02 |
-8.95 |
0.4 |
0 |
|
|
74341 |
48421743 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-132.57 |
3.11 |
-9.44 |
0.73 |
0 |
|
|
74342 |
48421744 |
2 |
NOC7H10 |
ABC7D10 |
-54.19 |
2.05 |
-9.7 |
-0.25 |
0 |
|
|
74343 |
48421746 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-109.38 |
0.73 |
-9.5 |
-0.22 |
0 |
|
|
74344 |
48421748 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-104.35 |
2.01 |
-9.69 |
-0.18 |
0 |
|
|
74345 |
48421749 |
1 |
NO2F3C15H18 |
AB2C3D15E18 |
-215.1 |
2.62 |
-9.94 |
-0.69 |
0 |
|
|
74346 |
48421750 |
1 |
NO3C15H21 |
AB3C15D21 |
-97.2 |
4.35 |
-8.82 |
0.19 |
0 |
|
|
74347 |
48421751 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-168.34 |
5.09 |
-9.4 |
0.18 |
0 |
|
|
74348 |
48421753 |
1 |
NO3C13H19 |
AB3C13D19 |
-85.69 |
2.77 |
-9.31 |
0.32 |
0 |
|
|
74349 |
48421755 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-135.94 |
3.39 |
-9.55 |
-0.37 |
0 |
|
|
74350 |
48421757 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-162.64 |
2.19 |
-8.81 |
-0.22 |
0 |
|
|
74351 |
48421758 |
1 |
NO4C16H21 |
AB4C16D21 |
-128.86 |
2.99 |
-8.75 |
0.12 |
0 |