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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74652 |
48422243 |
1 |
NF2O3C15H19 |
AB2C3D15E19 |
-200.78 |
4.52 |
-9.44 |
-0.21 |
0 |
|
|
74653 |
48422244 |
1 |
N2F3O4C20H21 |
A2B3C4D20E21 |
-289.61 |
5.3 |
-9.2 |
-0.11 |
0 |
|
|
74654 |
48422245 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-90.27 |
1.48 |
-9.46 |
0.21 |
0 |
|
|
74655 |
48422247 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-13.86 |
4.98 |
-8.92 |
-0.43 |
0 |
|
|
74656 |
48422249 |
1 |
FN3O4C21H24 |
AB3C4D21E24 |
-189.35 |
5.52 |
-9.54 |
-0.5 |
0 |
|
|
74657 |
48422250 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-169.56 |
4.83 |
-8.33 |
-0.06 |
0 |
|
|
74658 |
48422252 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-58.14 |
5.67 |
-9.28 |
-0.62 |
0 |
|
|
74659 |
48422253 |
1 |
N3O4C19H21 |
A3B4C19D21 |
-115.99 |
0.9 |
-9.48 |
-0.25 |
0 |
|
|
74660 |
48422254 |
1 |
N2O5C14H18 |
A2B5C14D18 |
-197.33 |
5.68 |
-9.72 |
0.02 |
0 |
|
|
74661 |
48422255 |
1 |
NF3O3C16H20 |
AB3C3D16E20 |
-250.34 |
6.41 |
-9.3 |
-0.23 |
0 |
|
|
74662 |
48422257 |
1 |
NO2F3C14H22 |
AB2C3D14E22 |
-266.96 |
1.94 |
-9.88 |
0.85 |
0 |
|
|
74663 |
48422262 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-144.92 |
3.28 |
-8.81 |
-0.22 |
0 |
|
|
74664 |
48422263 |
1 |
SN2O6C16H22 |
AB2C6D16E22 |
-216.22 |
6.9 |
-9.5 |
-0.72 |
0 |
|
|
74665 |
48422264 |
1 |
SN2O5C16H22 |
AB2C5D16E22 |
-201.25 |
4.26 |
-9.56 |
0.13 |
0 |
|
|
74666 |
48422265 |
1 |
NSO4C12H21 |
ABC4D12E21 |
-166.49 |
5.35 |
-9.83 |
0.53 |
0 |
|
|
74667 |
48422266 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-5.23 |
5.98 |
-9.2 |
-0.29 |
0 |
|
|
74668 |
48422267 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-103.19 |
4.18 |
-9.38 |
-0.14 |
0 |
|
|
74669 |
48422269 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-40.42 |
8.56 |
-9.43 |
-0.25 |
0 |
|
|
74670 |
48422270 |
1 |
NO4C15H21 |
AB4C15D21 |
-134.72 |
5.43 |
-8.08 |
0.18 |
0 |
|
|
74671 |
48422271 |
1 |
NCl2O2C15H19 |
AB2C2D15E19 |
-81.06 |
3.28 |
-9.46 |
-0.41 |
0 |
|
|
74672 |
48422272 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-64.77 |
3.09 |
-9.6 |
-0.33 |
0 |
|
|
74673 |
48422273 |
1 |
NSO2C17H25 |
ABC2D17E25 |
-71.89 |
3.73 |
-8.53 |
-0.01 |
0 |
|
|
74674 |
48422274 |
1 |
N2O5C20H26 |
A2B5C20D26 |
-157.45 |
2.8 |
-8.94 |
-0.05 |
0 |
|
|
74675 |
48422276 |
1 |
NO4C18H23 |
AB4C18D23 |
-138.18 |
3.12 |
-8.26 |
0.01 |
0 |
|
|
74676 |
48422277 |
1 |
SN2O5C19H30 |
AB2C5D19E30 |
-190.11 |
4.46 |
-8.63 |
-0.44 |
0 |
|
|
74677 |
48422278 |
1 |
BrN4O4C16H17 |
AB4C4D16E17 |
-102.23 |
3.06 |
-9.46 |
-0.54 |
0 |
|
|
74678 |
48422279 |
1 |
NO2C15H21 |
AB2C15D21 |
-67.87 |
3.37 |
-8.69 |
0.21 |
0 |
|
|
74679 |
48422280 |
1 |
N2O6C17H24 |
A2B6C17D24 |
-180.29 |
2.09 |
-8.69 |
-0.38 |
0 |
|
|
74680 |
48422282 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-145.73 |
4.86 |
-9.41 |
0.56 |
0 |
|
|
74681 |
48422284 |
1 |
NO2C22H27 |
AB2C22D27 |
-38.55 |
2.93 |
-9.39 |
0.15 |
0 |
|
|
74682 |
48422285 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-69.75 |
3.96 |
-9.02 |
-0.19 |
0 |
|
|
74683 |
48422286 |
1 |
NO2C13H23 |
AB2C13D23 |
-97.33 |
3.36 |
-9.22 |
1.02 |
0 |
|
|
74684 |
48422288 |
1 |
SN3O6C16H21 |
AB3C6D16E21 |
-222.78 |
6.85 |
-9.74 |
-0.3 |
0 |
|
|
74685 |
48422292 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-98.96 |
3.91 |
-8.96 |
-0.16 |
0 |
|
|
74686 |
48422293 |
2 |
NO3C10H15 |
AB3C10D15 |
-200.96 |
3.02 |
-8.65 |
-0.39 |
0 |
|
|
74687 |
48422296 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-138.72 |
2.21 |
-8.99 |
-0.14 |
0 |
|
|
74688 |
48422297 |
1 |
NO3C21H25 |
AB3C21D25 |
-64.69 |
4.74 |
-8.85 |
0.03 |
0 |
|
|
74689 |
48422298 |
1 |
NO2S2C18H21 |
AB2C2D18E21 |
-26.19 |
2.4 |
-8.88 |
-0.48 |
0 |
|
|
74690 |
48422299 |
1 |
NF3O3C14H16 |
AB3C3D14E16 |
-253.4 |
0.71 |
-9.27 |
-0.69 |
0 |
|
|
74691 |
48422300 |
1 |
NO2C16H23 |
AB2C16D23 |
-70.51 |
4.51 |
-8.62 |
0.2 |
0 |
|
|
74692 |
48422301 |
1 |
NO2C15H29 |
AB2C15D29 |
-122.92 |
2.86 |
-9.56 |
1.18 |
0 |
|
|
74693 |
48422302 |
1 |
NO2C12H23 |
AB2C12D23 |
-106.61 |
3.56 |
-9.62 |
1.2 |
0 |
|
|
74694 |
48422303 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-154.39 |
5.03 |
-8.23 |
-0.11 |
0 |
|
|
74695 |
48422304 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-119.66 |
5.7 |
-8.24 |
0.0 |
0 |
|
|
74696 |
48422306 |
1 |
SN3O4C15H27 |
AB3C4D15E27 |
-157.13 |
3.08 |
-9.15 |
-0.09 |
0 |
|
|
74697 |
48422307 |
1 |
NO3C17H25 |
AB3C17D25 |
-93.33 |
4.67 |
-9.29 |
-0.08 |
0 |
|
|
74698 |
48422310 |
1 |
NO2C18H25 |
AB2C18D25 |
-66.12 |
3.44 |
-9.17 |
0.22 |
0 |
|
|
74699 |
48422312 |
1 |
NO4C21H29 |
AB4C21D29 |
-145.09 |
4.08 |
-8.67 |
0.1 |
0 |
|
|
74700 |
48422313 |
1 |
NSO2F3C15H18 |
ABC2D3E15F18 |
-221.3 |
3.06 |
-9.16 |
-0.74 |
0 |
|
|
74701 |
48422314 |
1 |
N3O5C17H27 |
A3B5C17D27 |
-191.28 |
3.33 |
-9.44 |
-0.36 |
0 |
|
|
74702 |
48422316 |
1 |
BrN3O3C13H18 |
AB3C3D13E18 |
-69.31 |
3.01 |
-9.3 |
-0.45 |
0 |
|
|
74703 |
48422320 |
1 |
N3O5C17H19 |
A3B5C17D19 |
-148.78 |
2.07 |
-9.48 |
-0.36 |
0 |
|
|
74704 |
48422322 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-120.1 |
3.82 |
-9.2 |
-0.73 |
0 |
|
|
74705 |
48422323 |
1 |
N3O5C21H29 |
A3B5C21D29 |
-203.62 |
4.21 |
-9.4 |
0.29 |
0 |
|
|
74706 |
48422324 |
1 |
SN2O5C19H28 |
AB2C5D19E28 |
-177.68 |
9.62 |
-8.81 |
-0.61 |
0 |
|
|
74707 |
48422326 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-178.56 |
5.98 |
-9.75 |
-0.05 |
0 |
|
|
74708 |
48422330 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-88.81 |
7.1 |
-9.22 |
-0.8 |
0 |
|
|
74709 |
48422331 |
1 |
N2O4C17H28 |
A2B4C17D28 |
-168.97 |
4.4 |
-9.22 |
0.56 |
0 |
|
|
74710 |
48422336 |
1 |
N3O6C21H25 |
A3B6C21D25 |
-186.09 |
2.45 |
-8.72 |
0.0 |
0 |
|
|
74711 |
48422337 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-108.81 |
2.97 |
-8.7 |
-0.07 |
0 |
|
|
74712 |
48422338 |
1 |
NO2C16H23 |
AB2C16D23 |
-72.6 |
3.35 |
-8.67 |
0.22 |
0 |
|
|
74713 |
48422340 |
1 |
NO2C13H25 |
AB2C13D25 |
-101.26 |
4.36 |
-9.21 |
0.98 |
0 |
|
|
74714 |
48422344 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-142.82 |
3.5 |
-9.56 |
0.9 |
0 |
|
|
74715 |
48422345 |
1 |
SN3O5C17H25 |
AB3C5D17E25 |
-153.47 |
5.76 |
-9.45 |
-0.55 |
0 |
|
|
74716 |
48422346 |
1 |
NO2C14H27 |
AB2C14D27 |
-116.79 |
3.05 |
-9.65 |
1.04 |
0 |
|
|
74717 |
48422349 |
2 |
FNO2C10H11 |
ABC2D10E11 |
-245.63 |
1.76 |
-9.43 |
-0.25 |
0 |
|
|
74718 |
48422350 |
1 |
NF2O3C16H21 |
AB2C3D16E21 |
-210.78 |
5.01 |
-9.45 |
-0.26 |
0 |
|
|
74719 |
48422351 |
1 |
O2F3N3C20H24 |
A2B3C3D20E24 |
-188.45 |
3.43 |
-9.42 |
-0.97 |
0 |
|
|
74720 |
48422352 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-107.45 |
6.75 |
-9.24 |
-0.25 |
0 |
|
|
74721 |
48422353 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-167.72 |
5.61 |
-9.3 |
0.02 |
0 |
|
|
74722 |
48422357 |
1 |
SN2O4C11H22 |
AB2C4D11E22 |
-169.14 |
3.11 |
-9.86 |
0.47 |
0 |
|
|
74723 |
48422358 |
1 |
ClSN2O4C14H19 |
ABC2D4E14F19 |
-147.73 |
5.0 |
-8.55 |
-0.34 |
0 |
|
|
74724 |
48422362 |
1 |
NO3C15H21 |
AB3C15D21 |
-62.85 |
3.91 |
-9.35 |
0.28 |
0 |
|
|
74725 |
48422363 |
1 |
NSO4C22H29 |
ABC4D22E29 |
-101.06 |
5.19 |
-8.74 |
-0.61 |
0 |
|
|
74726 |
48422364 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-228.38 |
4.06 |
-9.51 |
0.1 |
0 |
|
|
74727 |
48422366 |
1 |
NO4C13H23 |
AB4C13D23 |
-174.54 |
4.69 |
-9.47 |
0.7 |
0 |
|
|
74728 |
48422367 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-105.91 |
2.62 |
-9.25 |
0.22 |
0 |
|
|
74729 |
48422369 |
1 |
FNO3C17H22 |
ABC3D17E22 |
-140.78 |
1.47 |
-9.33 |
-0.17 |
0 |
|
|
74730 |
48422370 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-174.89 |
4.56 |
-9.5 |
-0.03 |
0 |
|
|
74731 |
48422371 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-142.35 |
4.09 |
-9.62 |
0.55 |
0 |
|
|
74732 |
48422372 |
2 |
NO2C8H11 |
AB2C8D11 |
-141.64 |
5.96 |
-8.71 |
-0.03 |
0 |
|
|
74733 |
48422373 |
1 |
NO4C16H21 |
AB4C16D21 |
-139.59 |
2.28 |
-9.06 |
-0.61 |
0 |
|
|
74734 |
48422374 |
1 |
NO2C15H17 |
AB2C15D17 |
-0.1 |
2.87 |
-8.91 |
-0.22 |
0 |
|
|
74735 |
48422375 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-164.71 |
5.53 |
-9.5 |
-0.06 |
0 |
|
|
74736 |
48422376 |
1 |
ClN3O4C18H18 |
AB3C4D18E18 |
-112.34 |
1.63 |
-9.55 |
-0.8 |
0 |
|
|
74737 |
48422377 |
1 |
N3O6C20H23 |
A3B6C20D23 |
-179.29 |
7.06 |
-8.81 |
-0.58 |
0 |
|
|
74738 |
48422379 |
1 |
ClF2N2O4H17C18 |
AB2C2D4E17F18 |
-244.62 |
7.17 |
-9.13 |
-0.74 |
0 |
|
|
74739 |
48422380 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-155.87 |
3.06 |
-9.45 |
0.26 |
0 |
|
|
74740 |
48422384 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-128.02 |
0.95 |
-9.62 |
-0.41 |
0 |
|
|
74741 |
48422386 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-90.62 |
2.64 |
-8.95 |
-0.71 |
0 |
|
|
74742 |
48422387 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-144.41 |
8.65 |
-8.97 |
-0.44 |
0 |
|
|
74743 |
48422389 |
1 |
NO2C21H25 |
AB2C21D25 |
-35.35 |
2.75 |
-9.39 |
0.13 |
0 |
|
|
74744 |
48422390 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-101.33 |
2.99 |
-9.37 |
0.08 |
0 |
|
|
74745 |
48422393 |
1 |
N3O5C20H23 |
A3B5C20D23 |
-173.79 |
3.35 |
-8.89 |
-0.2 |
0 |
|
|
74746 |
48422394 |
1 |
NO4C19H27 |
AB4C19D27 |
-134.1 |
1.39 |
-8.2 |
0.29 |
0 |
|
|
74747 |
48422396 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-34.18 |
3.35 |
-8.84 |
-0.24 |
0 |
|
|
74748 |
48422397 |
1 |
ClN2O3C18H19 |
AB2C3D18E19 |
-101.55 |
3.46 |
-9.6 |
-0.28 |
0 |
|
|
74749 |
48422398 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-66.94 |
2.74 |
-9.54 |
-0.19 |
0 |
|
|
74750 |
48422400 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-130.28 |
3.71 |
-9.33 |
0.62 |
0 |
|
|
74751 |
48422406 |
2 |
ON2C10H13 |
AB2C10D13 |
-19.46 |
4.77 |
-8.98 |
-0.27 |
0 |