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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76252 |
48424670 |
2 |
NO2C10H14 |
AB2C10D14 |
-130.66 |
2.36 |
-9.23 |
-0.04 |
0 |
|
|
76253 |
48424672 |
1 |
NO3C19H25 |
AB3C19D25 |
-82.78 |
2.62 |
-8.97 |
-0.24 |
0 |
|
|
76254 |
48424681 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-147.58 |
1.75 |
-9.83 |
-0.45 |
0 |
|
|
76255 |
48424686 |
1 |
SN2O4C18H26 |
AB2C4D18E26 |
-125.7 |
4.08 |
-9.41 |
-0.66 |
0 |
|
|
76256 |
48424688 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-103.11 |
4.53 |
-9.53 |
-0.43 |
0 |
|
|
76257 |
48424690 |
1 |
FN2O3C20H21 |
AB2C3D20E21 |
-145.8 |
1.41 |
-9.49 |
-0.1 |
0 |
|
|
76258 |
48424691 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-107.41 |
3.54 |
-9.2 |
0.04 |
0 |
|
|
76259 |
48424692 |
1 |
NO2C17H23 |
AB2C17D23 |
-70.72 |
3.18 |
-9.11 |
0.26 |
0 |
|
|
76260 |
48424693 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-141.83 |
6.69 |
-8.88 |
-0.01 |
0 |
|
|
76261 |
48424694 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-85.93 |
4.18 |
-9.34 |
-0.91 |
0 |
|
|
76262 |
48424695 |
1 |
BrN2O2C18H27 |
AB2C2D18E27 |
-53.62 |
3.38 |
-8.56 |
-0.25 |
0 |
|
|
76263 |
48424696 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-257.81 |
3.77 |
-9.5 |
-0.71 |
0 |
|
|
76264 |
48424697 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-219.0 |
1.29 |
-9.56 |
-0.58 |
0 |
|
|
76265 |
48424699 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-99.46 |
4.5 |
-8.75 |
0.1 |
0 |
|
|
76266 |
48424700 |
1 |
FN2O4C20H23 |
AB2C4D20E23 |
-176.88 |
2.06 |
-9.25 |
-0.2 |
0 |
|
|
76267 |
48424702 |
1 |
FN2O3C20H21 |
AB2C3D20E21 |
-144.87 |
2.35 |
-9.5 |
-0.08 |
0 |
|
|
76268 |
48424703 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-144.81 |
3.09 |
-8.93 |
0.12 |
0 |
|
|
76269 |
48424704 |
1 |
NO3C17H25 |
AB3C17D25 |
-109.01 |
3.16 |
-8.59 |
0.43 |
0 |
|
|
76270 |
48424705 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-66.59 |
1.61 |
-8.6 |
0.1 |
0 |
|
|
76271 |
48424707 |
1 |
NF2O3C16H21 |
AB2C3D16E21 |
-188.65 |
2.01 |
-9.22 |
-0.52 |
0 |
|
|
76272 |
48424708 |
2 |
NO2C10H14 |
AB2C10D14 |
-132.4 |
7.89 |
-9.15 |
-0.2 |
0 |
|
|
76273 |
48424709 |
2 |
NO2C10H14 |
AB2C10D14 |
-129.43 |
1.13 |
-9.22 |
-0.27 |
0 |
|
|
76274 |
48424710 |
2 |
NO2C12H15 |
AB2C12D15 |
-152.89 |
1.8 |
-8.56 |
0.28 |
0 |
|
|
76275 |
48424711 |
1 |
NO3C20H29 |
AB3C20D29 |
-117.19 |
3.67 |
-8.56 |
0.43 |
0 |
|
|
76276 |
48424712 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-60.55 |
3.7 |
-8.09 |
0.42 |
0 |
|
|
76277 |
48424713 |
1 |
ClN2O3C20H21 |
AB2C3D20E21 |
-104.72 |
1.43 |
-9.53 |
-0.32 |
0 |
|
|
76278 |
48424716 |
1 |
NCl2O3C15H19 |
AB2C3D15E19 |
-109.22 |
6.29 |
-9.15 |
-0.42 |
0 |
|
|
76279 |
48424718 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-144.07 |
3.27 |
-8.31 |
-0.02 |
0 |
|
|
76280 |
48424720 |
2 |
NO2C9H13 |
AB2C9D13 |
-139.43 |
7.98 |
-8.28 |
0.06 |
0 |
|
|
76281 |
48424721 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-108.13 |
3.42 |
-8.92 |
-0.23 |
0 |
|
|
76282 |
48424722 |
1 |
ClFN2O3C19H20 |
ABC2D3E19F20 |
-154.22 |
3.67 |
-9.75 |
-0.59 |
0 |
|
|
76283 |
48424726 |
3 |
NOC7H11 |
ABC7D11 |
-142.0 |
3.2 |
-8.67 |
-0.07 |
0 |
|
|
76284 |
48424729 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-52.04 |
2.91 |
-8.53 |
-0.13 |
0 |
|
|
76285 |
48424730 |
1 |
NO2C21H25 |
AB2C21D25 |
-39.58 |
3.48 |
-8.7 |
-0.32 |
0 |
|
|
76286 |
48424731 |
1 |
NO3C18H25 |
AB3C18D25 |
-100.36 |
2.16 |
-8.92 |
0.21 |
0 |
|
|
76287 |
48424732 |
1 |
BrNO3C19H26 |
ABC3D19E26 |
-106.6 |
2.95 |
-9.7 |
-0.31 |
0 |
|
|
76288 |
48424737 |
2 |
ON2C9H12 |
AB2C9D12 |
-10.44 |
5.21 |
-8.76 |
-0.62 |
0 |
|
|
76289 |
48424740 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-133.34 |
3.24 |
-8.47 |
-0.02 |
0 |
|
|
76290 |
48424741 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-97.58 |
4.3 |
-8.67 |
1.07 |
0 |
|
|
76291 |
48424742 |
1 |
NO2C17H25 |
AB2C17D25 |
-68.34 |
2.56 |
-9.44 |
0.22 |
0 |
|
|
76292 |
48424743 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-173.4 |
1.51 |
-8.37 |
-0.06 |
0 |
|
|
76293 |
48424745 |
2 |
NO2C11H14 |
AB2C11D14 |
-147.09 |
3.7 |
-9.09 |
-0.17 |
0 |
|
|
76294 |
48424746 |
1 |
NO3C18H27 |
AB3C18D27 |
-114.47 |
3.61 |
-8.98 |
-0.02 |
0 |
|
|
76295 |
48424747 |
1 |
NO3C18H27 |
AB3C18D27 |
-117.63 |
4.18 |
-9.08 |
0.37 |
0 |
|
|
76296 |
48424749 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-138.92 |
7.13 |
-9.2 |
0.88 |
0 |
|
|
76297 |
48424750 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-166.7 |
5.48 |
-8.26 |
0.06 |
0 |
|
|
76298 |
48424751 |
1 |
NO4C19H27 |
AB4C19D27 |
-131.05 |
6.97 |
-8.33 |
0.08 |
0 |
|
|
76299 |
48424752 |
1 |
SO3N4C21H28 |
AB3C4D21E28 |
-84.3 |
6.04 |
-9.04 |
-0.48 |
0 |
|
|
76300 |
48424753 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-51.54 |
3.44 |
-8.67 |
-0.28 |
0 |
|
|
76301 |
48424756 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-40.04 |
7.62 |
-8.92 |
-0.59 |
0 |
|
|
76302 |
48424757 |
1 |
NF2O3C16H21 |
AB2C3D16E21 |
-203.48 |
2.93 |
-9.48 |
-0.24 |
0 |
|
|
76303 |
48424759 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-67.27 |
9.59 |
-8.76 |
-0.49 |
0 |
|
|
76304 |
48424760 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-63.58 |
1.96 |
-9.42 |
-0.3 |
0 |
|
|
76305 |
48424761 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-31.2 |
1.64 |
-9.48 |
-0.09 |
0 |
|
|
76306 |
48424762 |
1 |
NSO2C17H27 |
ABC2D17E27 |
-75.44 |
3.47 |
-9.03 |
-0.07 |
0 |
|
|
76307 |
48424764 |
1 |
O2N3C18H33 |
A2B3C18D33 |
-83.9 |
4.87 |
-8.39 |
0.82 |
0 |
|
|
76308 |
48424765 |
1 |
NO4C21H31 |
AB4C21D31 |
-158.34 |
2.3 |
-8.64 |
0.09 |
0 |
|
|
76309 |
48424766 |
1 |
NO4C20H29 |
AB4C20D29 |
-143.77 |
6.3 |
-9.0 |
-0.08 |
0 |
|
|
76310 |
48424767 |
1 |
NO4C20H29 |
AB4C20D29 |
-147.2 |
5.59 |
-8.98 |
0.01 |
0 |
|
|
76311 |
48424769 |
2 |
FNO2C10H11 |
ABC2D10E11 |
-234.96 |
2.69 |
-9.54 |
-0.29 |
0 |
|
|
76312 |
48424770 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-73.98 |
3.23 |
-8.87 |
-0.03 |
0 |
|
|
76313 |
48424771 |
1 |
NO4C16H23 |
AB4C16D23 |
-134.52 |
2.36 |
-8.62 |
-0.06 |
0 |
|
|
76314 |
48424772 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-55.87 |
3.04 |
-8.32 |
0.12 |
0 |
|
|
76315 |
48424773 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-141.33 |
4.18 |
-8.18 |
-0.01 |
0 |
|
|
76316 |
48424774 |
1 |
O3N4C22H34 |
A3B4C22D34 |
-124.08 |
2.38 |
-8.32 |
0.22 |
0 |
|
|
76317 |
48424775 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-88.56 |
1.19 |
-8.28 |
-0.1 |
0 |
|
|
76318 |
48424776 |
1 |
BrN2O2C18H25 |
AB2C2D18E25 |
-58.23 |
3.2 |
-8.44 |
0.03 |
0 |
|
|
76319 |
48424777 |
1 |
FN2O2C18H25 |
AB2C2D18E25 |
-105.24 |
3.18 |
-8.26 |
0.09 |
0 |
|
|
76320 |
48424778 |
1 |
NO2C17H29 |
AB2C17D29 |
-105.24 |
4.28 |
-9.25 |
0.71 |
0 |
|
|
76321 |
48424779 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-147.29 |
3.23 |
-8.74 |
-0.14 |
0 |
|
|
76322 |
48424780 |
1 |
NO3C17H25 |
AB3C17D25 |
-114.11 |
3.29 |
-8.6 |
0.15 |
0 |
|
|
76323 |
48424781 |
1 |
NO2C13H25 |
AB2C13D25 |
-109.71 |
3.61 |
-9.58 |
1.24 |
0 |
|
|
76324 |
48424782 |
1 |
BrSN2O3C17H19 |
ABC2D3E17F19 |
-73.94 |
5.48 |
-9.35 |
-0.64 |
0 |
|
|
76325 |
48424783 |
1 |
BrNSO2C13H18 |
ABCD2E13F18 |
-35.8 |
3.79 |
-9.27 |
-0.56 |
0 |
|
|
76326 |
48424784 |
1 |
ClNSO2C18H20 |
ABCD2E18F20 |
-32.96 |
3.52 |
-9.23 |
-0.48 |
0 |
|
|
76327 |
48424785 |
1 |
N3O5C18H25 |
A3B5C18D25 |
-214.91 |
3.85 |
-9.59 |
-0.01 |
0 |
|
|
76328 |
48424786 |
1 |
NO2C19H27 |
AB2C19D27 |
-56.83 |
2.9 |
-9.26 |
0.25 |
0 |
|
|
76329 |
48424787 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-72.0 |
4.19 |
-8.65 |
0.28 |
0 |
|
|
76330 |
48424788 |
1 |
N3O5C22H27 |
A3B5C22D27 |
-179.61 |
5.74 |
-9.06 |
0.02 |
0 |
|
|
76331 |
48424789 |
2 |
NO2C9H13 |
AB2C9D13 |
-143.08 |
2.69 |
-9.11 |
0.08 |
0 |
|
|
76332 |
48424790 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-137.29 |
4.21 |
-8.57 |
0.03 |
0 |
|
|
76333 |
48424791 |
2 |
NO2C7H12 |
AB2C7D12 |
-173.13 |
4.53 |
-9.82 |
0.64 |
0 |
|
|
76334 |
48424792 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-132.71 |
2.71 |
-8.74 |
0.08 |
0 |
|
|
76335 |
48424793 |
1 |
NO2C13H25 |
AB2C13D25 |
-108.48 |
3.64 |
-9.52 |
1.3 |
0 |
|
|
76336 |
48424794 |
2 |
NO2C8H11 |
AB2C8D11 |
-163.92 |
1.77 |
-9.48 |
-0.04 |
0 |
|
|
76337 |
48424795 |
1 |
NO3C17H23 |
AB3C17D23 |
-98.01 |
3.12 |
-8.74 |
0.09 |
0 |
|
|
76338 |
48424797 |
1 |
NO3C19H29 |
AB3C19D29 |
-105.26 |
3.59 |
-9.24 |
0.24 |
0 |
|
|
76339 |
48424798 |
1 |
F2N2O4C21H22 |
A2B2C4D21E22 |
-239.54 |
2.42 |
-9.32 |
-0.26 |
0 |
|
|
76340 |
48424799 |
1 |
NF2O3C17H21 |
AB2C3D17E21 |
-204.6 |
1.95 |
-9.31 |
-0.32 |
0 |
|
|
76341 |
48424800 |
1 |
NO3C12H21 |
AB3C12D21 |
-128.92 |
4.3 |
-9.66 |
0.86 |
0 |
|
|
76342 |
48424803 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-182.34 |
1.77 |
-9.46 |
0.01 |
0 |
|
|
76343 |
48424804 |
1 |
NO4C18H25 |
AB4C18D25 |
-146.92 |
2.22 |
-9.49 |
0.08 |
0 |
|
|
76344 |
48424805 |
1 |
NF3O3C16H20 |
AB3C3D16E20 |
-262.87 |
7.85 |
-8.88 |
-0.49 |
0 |
|
|
76345 |
48424807 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-101.69 |
6.48 |
-9.63 |
0.0 |
0 |
|
|
76346 |
48424808 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-65.73 |
1.38 |
-9.79 |
0.03 |
0 |
|
|
76347 |
48424809 |
2 |
NO2C8H12 |
AB2C8D12 |
-172.49 |
2.63 |
-9.43 |
0.24 |
0 |
|
|
76348 |
48424810 |
1 |
NO3C12H23 |
AB3C12D23 |
-138.64 |
2.21 |
-9.65 |
1.09 |
0 |
|
|
76349 |
48424812 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-130.38 |
4.02 |
-9.54 |
-0.42 |
0 |
|
|
76350 |
48424813 |
1 |
SN3O5C17H25 |
AB3C5D17E25 |
-205.32 |
4.06 |
-9.59 |
0.12 |
0 |
|
|
76351 |
48424814 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-118.25 |
4.12 |
-8.66 |
0.06 |
0 |