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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
35750 |
7980281 |
1 |
SN2O4H18C20 |
AB2C4D18E20 |
-80.63 |
4.45 |
-8.64 |
-0.7 |
0 |
|
|
35751 |
7980282 |
1 |
N2O6H14C15 |
A2B6C14D15 |
-149.85 |
1.21 |
-9.24 |
-0.72 |
0 |
|
|
35752 |
7980283 |
1 |
BrN2O4H13C17 |
AB2C4D13E17 |
-43.53 |
4.72 |
-9.23 |
-1.15 |
0 |
|
|
35753 |
7980284 |
1 |
NO5H17C18 |
AB5C17D18 |
-150.9 |
5.15 |
-9.04 |
-0.74 |
0 |
|
|
35754 |
7980286 |
1 |
NO4H19C20 |
AB4C19D20 |
-98.13 |
5.9 |
-8.88 |
-0.63 |
0 |
|
|
35755 |
7980287 |
2 |
ClNO2H7C8 |
ABC2D7E8 |
-117.48 |
4.28 |
-9.42 |
-1.0 |
0 |
|
|
35756 |
7980288 |
2 |
ClNO2H7C8 |
ABC2D7E8 |
-117.03 |
2.41 |
-9.35 |
-0.99 |
0 |
|
|
35757 |
7980289 |
1 |
FNO4H16C17 |
ABC4D16E17 |
-162.66 |
2.95 |
-9.22 |
-0.43 |
0 |
|
|
35758 |
7980290 |
1 |
FNO4H16C17 |
ABC4D16E17 |
-159.33 |
2.89 |
-9.08 |
-0.35 |
0 |
|
|
35759 |
7980291 |
1 |
NCl3O4H14C17 |
AB3C4D14E17 |
-141.34 |
2.21 |
-9.33 |
-0.86 |
0 |
|
|
35760 |
7980292 |
1 |
NCl3O4H14C17 |
AB3C4D14E17 |
-136.77 |
4.23 |
-9.28 |
-0.84 |
0 |
|
|
35761 |
7980293 |
1 |
NO4H21C23 |
AB4C21D23 |
-93.43 |
2.69 |
-8.87 |
-0.24 |
0 |
|
|
35762 |
7980294 |
1 |
NO4H21C23 |
AB4C21D23 |
-91.07 |
4.26 |
-8.84 |
-0.17 |
0 |
|
|
35763 |
7980295 |
1 |
NO4C20H21 |
AB4C20D21 |
-119.84 |
2.5 |
-8.62 |
-0.14 |
0 |
|
|
35764 |
7980297 |
1 |
NO4C20H21 |
AB4C20D21 |
-118.83 |
3.48 |
-8.64 |
-0.33 |
0 |
|
|
35765 |
7980298 |
1 |
NO4C20H21 |
AB4C20D21 |
-117.69 |
2.24 |
-8.73 |
-0.06 |
0 |
|
|
35766 |
7980299 |
2 |
O3H7C9 |
A3B7C9 |
-180.13 |
6.63 |
-9.29 |
-1.26 |
0 |
|
|
35767 |
7980302 |
1 |
NO6H21C24 |
AB6C21D24 |
-156.23 |
3.03 |
-8.37 |
-0.75 |
0 |
|
|
35768 |
7980303 |
1 |
N2O5H20C23 |
A2B5C20D23 |
-125.31 |
3.99 |
-9.05 |
-0.94 |
0 |
|
|
35769 |
7980304 |
1 |
NSO6C21H23 |
ABC6D21E23 |
-212.43 |
2.88 |
-8.85 |
-0.7 |
0 |
|
|
35770 |
7980306 |
1 |
NF2O6H15C18 |
AB2C6D15E18 |
-296.4 |
4.9 |
-9.12 |
-1.18 |
0 |
|
|
35771 |
7980307 |
1 |
O3H16C21 |
A3B16C21 |
-33.68 |
3.02 |
-9.06 |
-0.7 |
0 |
|
|
35772 |
7980308 |
1 |
NO4C17H23 |
AB4C17D23 |
-162.19 |
5.73 |
-9.29 |
-0.08 |
0 |
|
|
35773 |
7980309 |
1 |
N2O5C12H14 |
A2B5C12D14 |
-184.76 |
5.37 |
-8.92 |
-0.39 |
0 |
|
|
35774 |
7980310 |
1 |
N2O5C12H14 |
A2B5C12D14 |
-183.01 |
2.89 |
-9.03 |
-0.1 |
0 |
|
|
35775 |
7980311 |
1 |
N2O5C14H18 |
A2B5C14D18 |
-193.6 |
2.18 |
-9.07 |
-0.12 |
0 |
|
|
35776 |
7980312 |
1 |
N2O5C14H18 |
A2B5C14D18 |
-192.11 |
2.11 |
-9.05 |
-0.05 |
0 |
|
|
35777 |
7980314 |
1 |
NO4C20H23 |
AB4C20D23 |
-130.87 |
1.76 |
-8.82 |
-0.28 |
0 |
|
|
35778 |
7980315 |
1 |
NO4C21H27 |
AB4C21D27 |
-175.06 |
4.04 |
-9.17 |
0.04 |
0 |
|
|
35779 |
7980316 |
1 |
NO4C21H27 |
AB4C21D27 |
-175.2 |
2.76 |
-9.26 |
-0.26 |
0 |
|
|
35780 |
7980317 |
1 |
NO4H19C21 |
AB4C19D21 |
-97.24 |
4.88 |
-8.59 |
-0.57 |
0 |
|
|
35781 |
7980318 |
1 |
NO4H19C21 |
AB4C19D21 |
-96.77 |
4.52 |
-8.66 |
-0.65 |
0 |
|
|
35782 |
7980319 |
2 |
NO2C11H13 |
AB2C11D13 |
-125.82 |
1.48 |
-7.86 |
-0.32 |
0 |
|
|
35783 |
7980321 |
1 |
NO4C19H19 |
AB4C19D19 |
-113.49 |
3.72 |
-8.74 |
-0.01 |
0 |
|
|
35784 |
7980322 |
1 |
NO4H23C24 |
AB4C23D24 |
-89.8 |
5.05 |
-9.24 |
-0.1 |
0 |
|
|
35785 |
7980323 |
1 |
NO4H23C24 |
AB4C23D24 |
-86.48 |
3.4 |
-9.01 |
-0.12 |
0 |
|
|
35786 |
7980324 |
1 |
NF3O4H14C17 |
AB3C4D14E17 |
-247.39 |
5.12 |
-9.38 |
-0.86 |
0 |
|
|
35787 |
7980325 |
1 |
NO4C21H25 |
AB4C21D25 |
-138.54 |
2.78 |
-9.02 |
-0.4 |
0 |
|
|
35788 |
7980326 |
1 |
FN2O6H15C17 |
AB2C6D15E17 |
-165.95 |
9.1 |
-9.48 |
-1.54 |
0 |
|
|
35789 |
7980327 |
2 |
NO2H8C9 |
AB2C8D9 |
-86.76 |
6.39 |
-9.38 |
-0.83 |
0 |
|
|
35790 |
7980328 |
2 |
NO2H8C9 |
AB2C8D9 |
-84.0 |
6.94 |
-9.37 |
-0.87 |
0 |
|
|
35791 |
7980329 |
1 |
N2F3O6H15C18 |
A2B3C6D15E18 |
-283.61 |
6.11 |
-9.51 |
-1.82 |
0 |
|
|
35792 |
7980331 |
1 |
N2O6H16C17 |
A2B6C16D17 |
-126.95 |
3.72 |
-9.14 |
-1.72 |
0 |
|
|
35793 |
7980332 |
1 |
N2O6H16C17 |
A2B6C16D17 |
-126.81 |
3.74 |
-9.2 |
-1.68 |
0 |
|
|
35794 |
7980333 |
1 |
FNO4C19H20 |
ABC4D19E20 |
-169.36 |
2.77 |
-9.05 |
-0.35 |
0 |
|
|
35795 |
7980334 |
1 |
NO4C21H23 |
AB4C21D23 |
-134.43 |
3.99 |
-9.22 |
-0.1 |
0 |
|
|
35796 |
7980335 |
1 |
NO4C21H23 |
AB4C21D23 |
-131.99 |
5.04 |
-9.3 |
-0.28 |
0 |
|
|
35797 |
7980336 |
1 |
NO4C21H23 |
AB4C21D23 |
-132.62 |
4.35 |
-9.2 |
0.05 |
0 |
|
|
35798 |
7980337 |
1 |
NO4C21H23 |
AB4C21D23 |
-128.72 |
4.3 |
-9.02 |
0.14 |
0 |
|
|
35799 |
7980338 |
1 |
FO5H19C23 |
AB5C19D23 |
-166.36 |
5.03 |
-8.97 |
-0.63 |
0 |
|
|
35800 |
7980339 |
3 |
NO2C6H7 |
AB2C6D7 |
-221.18 |
7.06 |
-8.96 |
-0.71 |
0 |
|
|
35801 |
7980340 |
1 |
N3O4H15C19 |
A3B4C15D19 |
-56.67 |
3.41 |
-9.06 |
-1.18 |
0 |
|
|
35802 |
7980342 |
1 |
NO4H19C21 |
AB4C19D21 |
-102.05 |
2.02 |
-8.59 |
-0.49 |
0 |
|
|
35803 |
7980343 |
1 |
N2O5C20H20 |
A2B5C20D20 |
-150.81 |
2.83 |
-8.86 |
-0.48 |
0 |
|
|
35804 |
7980344 |
1 |
O3N5C20H21 |
A3B5C20D21 |
-28.99 |
0.91 |
-8.91 |
-0.37 |
0 |
|
|
35805 |
7980346 |
2 |
NO2C9H11 |
AB2C9D11 |
-132.52 |
6.39 |
-9.39 |
-0.4 |
0 |
|
|
35806 |
7980347 |
1 |
ClNSO3H14C18 |
ABCD3E14F18 |
-41.07 |
2.62 |
-9.01 |
-1.25 |
0 |
|
|
35807 |
7980349 |
1 |
SN2O4H18C19 |
AB2C4D18E19 |
-83.73 |
5.81 |
-9.17 |
-0.86 |
0 |
|
|
35808 |
7980350 |
1 |
NO4H19C20 |
AB4C19D20 |
-104.77 |
5.28 |
-8.92 |
-0.49 |
0 |
|
|
35809 |
7980351 |
1 |
NO4H19C20 |
AB4C19D20 |
-101.97 |
4.27 |
-8.84 |
-0.39 |
0 |
|
|
35810 |
7980353 |
1 |
SN2O6C19H22 |
AB2C6D19E22 |
-192.65 |
8.25 |
-9.26 |
-0.62 |
0 |
|
|
35811 |
7980354 |
1 |
SN2O6C19H22 |
AB2C6D19E22 |
-191.29 |
5.18 |
-9.1 |
-0.72 |
0 |
|
|
35812 |
7980355 |
1 |
NO4C19H27 |
AB4C19D27 |
-179.75 |
4.5 |
-9.35 |
-0.15 |
0 |
|
|
35813 |
7980356 |
1 |
NO4C19H27 |
AB4C19D27 |
-178.2 |
4.77 |
-9.38 |
-0.21 |
0 |
|
|
35814 |
7980357 |
1 |
NO4C19H27 |
AB4C19D27 |
-174.48 |
4.85 |
-9.26 |
-0.15 |
0 |
|
|
35815 |
7980358 |
1 |
NO4C19H27 |
AB4C19D27 |
-174.09 |
5.35 |
-9.27 |
-0.18 |
0 |
|
|
35816 |
7980359 |
1 |
ClN2O5C19H19 |
AB2C5D19E19 |
-156.84 |
2.29 |
-9.2 |
-0.58 |
0 |
|
|
35817 |
7980360 |
2 |
O3H9C10 |
A3B9C10 |
-191.42 |
4.67 |
-9.14 |
-1.2 |
0 |
|
|
35818 |
7980363 |
1 |
NO5H19C22 |
AB5C19D22 |
-115.23 |
4.48 |
-8.82 |
-0.38 |
0 |
|
|
35819 |
7980368 |
1 |
NO4C19H19 |
AB4C19D19 |
-112.14 |
4.12 |
-8.77 |
0.02 |
0 |
|
|
35820 |
7980369 |
1 |
NCl2O4H17C18 |
AB2C4D17E18 |
-140.2 |
3.06 |
-9.33 |
-0.47 |
0 |
|
|
35821 |
7980370 |
1 |
NSO7C20H21 |
ABC7D20E21 |
-214.69 |
2.16 |
-9.13 |
-1.58 |
0 |
|
|
35822 |
7980372 |
1 |
NO4C20H23 |
AB4C20D23 |
-132.45 |
4.12 |
-8.67 |
-0.35 |
0 |
|
|
35823 |
7980373 |
1 |
NO4C18H19 |
AB4C18D19 |
-124.53 |
5.45 |
-9.05 |
-0.13 |
0 |
|
|
35824 |
7980374 |
2 |
NO3C11H11 |
AB3C11D11 |
-196.7 |
3.91 |
-8.38 |
-0.17 |
0 |
|
|
35825 |
7980375 |
2 |
NO3C11H11 |
AB3C11D11 |
-196.31 |
4.19 |
-8.28 |
-0.26 |
0 |
|
|
35826 |
7980376 |
1 |
NO5C15H19 |
AB5C15D19 |
-183.54 |
3.68 |
-9.0 |
0.18 |
0 |
|
|
35827 |
7980377 |
1 |
N2O5C22H24 |
A2B5C22D24 |
-166.69 |
4.24 |
-8.33 |
-0.3 |
0 |
|
|
35828 |
7980378 |
1 |
NO6C19H19 |
AB6C19D19 |
-192.53 |
3.21 |
-9.13 |
-0.9 |
0 |
|
|
35829 |
7980379 |
1 |
NO4H19C23 |
AB4C19D23 |
-86.29 |
1.4 |
-8.77 |
-0.69 |
0 |
|
|
35830 |
7980380 |
1 |
BrClNO4H15C17 |
ABCD4E15F17 |
-120.92 |
0.83 |
-9.41 |
-0.77 |
0 |
|
|
35831 |
7980381 |
1 |
SN2O6C20H22 |
AB2C6D20E22 |
-182.89 |
7.5 |
-9.24 |
-0.73 |
0 |
|
|
35832 |
7980382 |
1 |
BrNSO3H16C17 |
ABCD3E16F17 |
-75.72 |
4.25 |
-9.27 |
-0.95 |
0 |
|
|
35833 |
7980383 |
1 |
ClNO4C21H24 |
ABC4D21E24 |
-151.6 |
2.28 |
-8.99 |
-0.21 |
0 |
|
|
35834 |
7980385 |
1 |
SN2O3H16C19 |
AB2C3D16E19 |
-36.78 |
1.48 |
-9.25 |
-1.41 |
0 |
|
|
35835 |
7980386 |
1 |
NO4C20H23 |
AB4C20D23 |
-133.14 |
4.06 |
-8.72 |
-0.3 |
0 |
|
|
35836 |
7980387 |
1 |
NO4C19H21 |
AB4C19D21 |
-131.36 |
1.2 |
-9.41 |
-0.07 |
0 |
|
|
35837 |
7980388 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-110.73 |
2.86 |
-8.94 |
-0.58 |
0 |
|
|
35838 |
7980389 |
1 |
FNSO3H16C17 |
ABCD3E16F17 |
-126.52 |
1.72 |
-9.2 |
-0.77 |
0 |
|
|
35839 |
7980390 |
1 |
NSO3C17H19 |
ABC3D17E19 |
-91.39 |
3.23 |
-9.14 |
-0.18 |
0 |
|
|
35840 |
7980391 |
1 |
SN2F3O4H11C17 |
AB2C3D4E11F17 |
-207.02 |
4.03 |
-9.23 |
-1.65 |
0 |
|
|
35841 |
7980392 |
1 |
BrFNO3H15C18 |
ABCD3E15F18 |
-107.81 |
5.0 |
-9.84 |
-1.01 |
0 |
|
|
35842 |
7980394 |
1 |
NS2O3C19H19 |
AB2C3D19E19 |
-73.41 |
5.58 |
-9.1 |
-0.7 |
0 |
|
|
35843 |
7980395 |
1 |
N2O5C20H20 |
A2B5C20D20 |
-159.33 |
3.95 |
-9.16 |
-0.47 |
0 |
|
|
35844 |
7980396 |
1 |
O5H14C18 |
A5B14C18 |
-108.64 |
3.34 |
-9.13 |
-1.25 |
0 |
|
|
35845 |
7980397 |
1 |
SN2O4H18C19 |
AB2C4D18E19 |
-72.97 |
6.09 |
-8.77 |
-1.16 |
0 |
|
|
35846 |
7980398 |
1 |
ClNO5C21H24 |
ABC5D21E24 |
-176.58 |
3.92 |
-8.82 |
-0.58 |
0 |
|
|
35847 |
7980399 |
1 |
ClNF3O3H15C19 |
ABC3D3E15F19 |
-235.68 |
1.48 |
-9.79 |
-1.3 |
0 |
|
|
35848 |
7980400 |
1 |
NO4C21H25 |
AB4C21D25 |
-138.19 |
5.13 |
-8.95 |
-0.08 |
0 |
|
|
35849 |
7980402 |
1 |
NO4H23C24 |
AB4C23D24 |
-97.0 |
4.06 |
-9.25 |
-0.12 |
0 |