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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75952 |
48424212 |
3 |
NOC6H7 |
ABC6D7 |
-78.6 |
2.41 |
-9.48 |
-0.27 |
0 |
|
|
75953 |
48424214 |
1 |
N3O4C24H25 |
A3B4C24D25 |
-95.82 |
3.54 |
-8.98 |
-0.29 |
0 |
|
|
75954 |
48424216 |
1 |
FNO2C17H22 |
ABC2D17E22 |
-84.04 |
2.05 |
-9.48 |
-0.14 |
0 |
|
|
75955 |
48424217 |
1 |
ClNO2C16H22 |
ABC2D16E22 |
-68.09 |
4.1 |
-9.36 |
-0.08 |
0 |
|
|
75956 |
48424218 |
1 |
ClNO2C16H22 |
ABC2D16E22 |
-68.63 |
3.6 |
-9.48 |
-0.09 |
0 |
|
|
75957 |
48424219 |
2 |
NOC8H12 |
ABC8D12 |
-58.34 |
2.51 |
-9.58 |
-0.14 |
0 |
|
|
75958 |
48424220 |
1 |
NO3C16H25 |
AB3C16D25 |
-107.6 |
5.36 |
-8.98 |
0.49 |
0 |
|
|
75959 |
48424221 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-62.33 |
4.05 |
-9.0 |
-0.29 |
0 |
|
|
75960 |
48424223 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-147.35 |
2.79 |
-8.88 |
0.14 |
0 |
|
|
75961 |
48424224 |
1 |
NO3C17H25 |
AB3C17D25 |
-108.64 |
2.38 |
-8.67 |
0.3 |
0 |
|
|
75962 |
48424227 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-62.29 |
3.21 |
-8.69 |
0.81 |
0 |
|
|
75963 |
48424228 |
1 |
FN2O2C18H27 |
AB2C2D18E27 |
-101.11 |
3.74 |
-8.56 |
-0.24 |
0 |
|
|
75964 |
48424229 |
1 |
NO3C18H25 |
AB3C18D25 |
-75.12 |
5.01 |
-8.9 |
0.15 |
0 |
|
|
75965 |
48424230 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-40.49 |
3.42 |
-8.59 |
-0.59 |
0 |
|
|
75966 |
48424231 |
1 |
N3O3C23H35 |
A3B3C23D35 |
-141.69 |
2.81 |
-8.68 |
0.29 |
0 |
|
|
75967 |
48424232 |
1 |
N2O2C19H34 |
A2B2C19D34 |
-106.42 |
3.69 |
-8.66 |
1.0 |
0 |
|
|
75968 |
48424233 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-102.38 |
3.4 |
-8.8 |
-0.07 |
0 |
|
|
75969 |
48424234 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-137.21 |
2.93 |
-8.89 |
-0.04 |
0 |
|
|
75970 |
48424236 |
1 |
N3O4C22H33 |
A3B4C22D33 |
-193.1 |
3.86 |
-9.3 |
-0.07 |
0 |
|
|
75971 |
48424237 |
1 |
N2O3C18H32 |
A2B3C18D32 |
-158.47 |
2.23 |
-9.41 |
0.86 |
0 |
|
|
75972 |
48424240 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-36.94 |
3.49 |
-9.99 |
-0.51 |
0 |
|
|
75973 |
48424242 |
1 |
NO4C16H23 |
AB4C16D23 |
-133.37 |
4.44 |
-8.38 |
0.16 |
0 |
|
|
75974 |
48424243 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-103.96 |
5.73 |
-8.78 |
-0.02 |
0 |
|
|
75975 |
48424244 |
1 |
NO4C23H29 |
AB4C23D29 |
-112.61 |
4.62 |
-8.47 |
0.04 |
0 |
|
|
75976 |
48424245 |
3 |
NOC6H7 |
ABC6D7 |
-86.37 |
2.19 |
-9.49 |
-0.22 |
0 |
|
|
75977 |
48424246 |
2 |
NOC7H10 |
ABC7D10 |
-58.56 |
2.23 |
-9.56 |
-0.05 |
0 |
|
|
75978 |
48424247 |
1 |
NSO2C15H21 |
ABC2D15E21 |
-62.41 |
3.33 |
-8.78 |
-0.25 |
0 |
|
|
75979 |
48424249 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-174.22 |
3.69 |
-8.82 |
0.15 |
0 |
|
|
75980 |
48424252 |
3 |
NOC6H9 |
ABC6D9 |
-101.44 |
2.57 |
-8.73 |
0.18 |
0 |
|
|
75981 |
48424253 |
2 |
NOC7H13 |
ABC7D13 |
-66.66 |
3.31 |
-8.56 |
0.96 |
0 |
|
|
75982 |
48424254 |
1 |
F2N3O3C21H23 |
A2B3C3D21E23 |
-179.55 |
6.42 |
-9.03 |
-0.58 |
0 |
|
|
75983 |
48424255 |
1 |
F2N2O2C17H22 |
A2B2C2D17E22 |
-144.3 |
3.97 |
-7.96 |
-0.22 |
0 |
|
|
75984 |
48424257 |
1 |
NO3C18H27 |
AB3C18D27 |
-108.89 |
3.58 |
-8.93 |
0.14 |
0 |
|
|
75985 |
48424259 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-197.8 |
5.13 |
-9.41 |
-0.09 |
0 |
|
|
75986 |
48424261 |
1 |
NO3C16H23 |
AB3C16D23 |
-100.92 |
3.22 |
-8.73 |
0.39 |
0 |
|
|
75987 |
48424264 |
2 |
NOC9H17 |
ABC9D17 |
-47.97 |
5.36 |
-8.47 |
1.09 |
0 |
|
|
75988 |
48424265 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-79.73 |
5.04 |
-9.17 |
0.11 |
0 |
|
|
75989 |
48424266 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-42.99 |
4.1 |
-9.2 |
0.74 |
0 |
|
|
75990 |
48424267 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-79.56 |
4.04 |
-9.36 |
0.3 |
0 |
|
|
75991 |
48424270 |
1 |
F3N3O4C15H18 |
A3B3C4D15E18 |
-321.44 |
4.76 |
-10.01 |
-0.31 |
0 |
|
|
75992 |
48424272 |
1 |
F2N2O2C19H26 |
A2B2C2D19E26 |
-158.54 |
4.3 |
-9.19 |
-0.31 |
0 |
|
|
75993 |
48424273 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-85.76 |
5.06 |
-8.82 |
-0.28 |
0 |
|
|
75994 |
48424276 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-53.14 |
6.39 |
-8.57 |
-0.15 |
0 |
|
|
75995 |
48424277 |
2 |
NO2C10H12 |
AB2C10D12 |
-136.17 |
2.12 |
-8.92 |
0.14 |
0 |
|
|
75996 |
48424278 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-106.75 |
4.6 |
-8.95 |
-0.1 |
0 |
|
|
75997 |
48424279 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-96.28 |
4.19 |
-8.91 |
-0.13 |
0 |
|
|
75998 |
48424280 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-100.4 |
6.87 |
-8.8 |
0.02 |
0 |
|
|
75999 |
48424283 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-142.05 |
6.42 |
-9.0 |
-0.29 |
0 |
|
|
76000 |
48424284 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-107.0 |
4.82 |
-9.21 |
-0.69 |
0 |
|
|
76001 |
48424285 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-139.58 |
5.17 |
-8.6 |
-0.15 |
0 |
|
|
76002 |
48424286 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-100.81 |
2.56 |
-8.66 |
-0.24 |
0 |
|
|
76003 |
48424287 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-138.23 |
7.52 |
-8.76 |
-0.15 |
0 |
|
|
76004 |
48424288 |
1 |
ClNO3C15H20 |
ABC3D15E20 |
-108.63 |
6.64 |
-8.48 |
-0.17 |
0 |
|
|
76005 |
48424289 |
1 |
NO3C17H25 |
AB3C17D25 |
-109.75 |
4.22 |
-8.39 |
0.08 |
0 |
|
|
76006 |
48424290 |
1 |
NO3C15H21 |
AB3C15D21 |
-103.73 |
4.8 |
-8.6 |
0.06 |
0 |
|
|
76007 |
48424291 |
1 |
NO3C17H25 |
AB3C17D25 |
-120.19 |
1.64 |
-8.18 |
0.3 |
0 |
|
|
76008 |
48424292 |
1 |
ClNO3C16H22 |
ABC3D16E22 |
-112.95 |
5.34 |
-8.37 |
-0.16 |
0 |
|
|
76009 |
48424293 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-144.27 |
4.64 |
-9.47 |
0.88 |
0 |
|
|
76010 |
48424294 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-177.62 |
3.33 |
-9.38 |
0.01 |
0 |
|
|
76011 |
48424297 |
1 |
ClNO2C17H22 |
ABC2D17E22 |
-67.39 |
3.59 |
-9.39 |
0.0 |
0 |
|
|
76012 |
48424298 |
2 |
NO2C11H14 |
AB2C11D14 |
-142.73 |
3.8 |
-9.44 |
0.22 |
0 |
|
|
76013 |
48424301 |
2 |
NO2C7H9 |
AB2C7D9 |
-60.69 |
7.07 |
-10.1 |
-1.39 |
0 |
|
|
76014 |
48424302 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-142.18 |
5.1 |
-8.93 |
0.94 |
0 |
|
|
76015 |
48424303 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-71.26 |
1.85 |
-8.82 |
-0.09 |
0 |
|
|
76016 |
48424305 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-171.0 |
4.49 |
-9.32 |
-0.25 |
0 |
|
|
76017 |
48424306 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-140.49 |
3.22 |
-9.35 |
-0.2 |
0 |
|
|
76018 |
48424307 |
1 |
NO3C18H27 |
AB3C18D27 |
-109.89 |
3.65 |
-9.47 |
0.29 |
0 |
|
|
76019 |
48424308 |
1 |
BrNO2C17H22 |
ABC2D17E22 |
-55.57 |
4.98 |
-9.39 |
-0.03 |
0 |
|
|
76020 |
48424309 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-159.19 |
6.29 |
-9.32 |
0.27 |
0 |
|
|
76021 |
48424310 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-137.85 |
4.45 |
-9.01 |
-0.32 |
0 |
|
|
76022 |
48424311 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-104.63 |
4.09 |
-8.78 |
0.3 |
0 |
|
|
76023 |
48424312 |
1 |
ClN3O4C21H24 |
AB3C4D21E24 |
-154.33 |
5.08 |
-8.85 |
-0.23 |
0 |
|
|
76024 |
48424313 |
1 |
ClN2O3C17H23 |
AB2C3D17E23 |
-118.94 |
6.02 |
-8.85 |
-0.21 |
0 |
|
|
76025 |
48424314 |
1 |
BrNO4C17H22 |
ABC4D17E22 |
-134.75 |
6.25 |
-8.95 |
-0.38 |
0 |
|
|
76026 |
48424315 |
1 |
N2O2F3C20H27 |
A2B2C3D20E27 |
-228.88 |
3.51 |
-9.17 |
-0.48 |
0 |
|
|
76027 |
48424317 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-142.14 |
2.96 |
-9.48 |
0.95 |
0 |
|
|
76028 |
48424319 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-92.96 |
7.14 |
-9.35 |
-0.03 |
0 |
|
|
76029 |
48424320 |
1 |
FN2O2C18H27 |
AB2C2D18E27 |
-97.31 |
3.02 |
-8.84 |
-0.39 |
0 |
|
|
76030 |
48424322 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-173.66 |
6.35 |
-9.65 |
0.03 |
0 |
|
|
76031 |
48424323 |
1 |
N3O5C18H19 |
A3B5C18D19 |
-96.91 |
6.17 |
-9.85 |
-1.35 |
0 |
|
|
76032 |
48424324 |
1 |
SN2O3C16H22 |
AB2C3D16E22 |
-82.52 |
5.16 |
-9.27 |
-0.61 |
0 |
|
|
76033 |
48424325 |
3 |
NOC7H11 |
ABC7D11 |
-130.09 |
1.78 |
-8.56 |
0.27 |
0 |
|
|
76034 |
48424326 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-99.28 |
4.05 |
-8.68 |
1.02 |
0 |
|
|
76035 |
48424332 |
1 |
NSO4C16H23 |
ABC4D16E23 |
-143.03 |
7.55 |
-9.71 |
-0.4 |
0 |
|
|
76036 |
48424337 |
1 |
N3O5C17H23 |
A3B5C17D23 |
-199.74 |
5.11 |
-9.53 |
-0.1 |
0 |
|
|
76037 |
48424338 |
1 |
N2O4C13H22 |
A2B4C13D22 |
-164.69 |
4.13 |
-9.38 |
0.47 |
0 |
|
|
76038 |
48424341 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-73.08 |
3.9 |
-8.69 |
-0.38 |
0 |
|
|
76039 |
48424345 |
2 |
NOC8H15 |
ABC8D15 |
-103.83 |
1.89 |
-8.6 |
1.1 |
0 |
|
|
76040 |
48424346 |
1 |
SN2O5C20H24 |
AB2C5D20E24 |
-184.44 |
4.29 |
-9.55 |
-0.21 |
0 |
|
|
76041 |
48424347 |
1 |
NO2C17H29 |
AB2C17D29 |
-78.21 |
4.45 |
-9.36 |
1.02 |
0 |
|
|
76042 |
48424348 |
1 |
FN3O4C21H22 |
AB3C4D21E22 |
-181.74 |
3.35 |
-8.74 |
-0.39 |
0 |
|
|
76043 |
48424349 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-174.01 |
2.66 |
-9.15 |
0.05 |
0 |
|
|
76044 |
48424350 |
1 |
BrFN2O3C18H18 |
ABC2D3E18F18 |
-160.94 |
3.56 |
-9.32 |
-0.57 |
0 |
|
|
76045 |
48424352 |
2 |
NO2C10H14 |
AB2C10D14 |
-125.46 |
3.14 |
-8.98 |
0.04 |
0 |
|
|
76046 |
48424353 |
1 |
ClNO3C17H22 |
ABC3D17E22 |
-102.82 |
1.53 |
-9.31 |
-0.28 |
0 |
|
|
76047 |
48424354 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-135.32 |
2.21 |
-9.38 |
0.25 |
0 |
|
|
76048 |
48424355 |
1 |
SN2O4C17H26 |
AB2C4D17E26 |
-141.15 |
5.68 |
-9.53 |
-0.58 |
0 |
|
|
76049 |
48424357 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-116.7 |
3.53 |
-8.96 |
-0.26 |
0 |
|
|
76050 |
48424358 |
1 |
NO4C12H21 |
AB4C12D21 |
-164.85 |
3.25 |
-9.58 |
0.98 |
0 |
|
|
76051 |
48424359 |
2 |
NO2C11H14 |
AB2C11D14 |
-148.16 |
4.81 |
-8.91 |
0.09 |
0 |