List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
260000 |
103179072 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-47.57 |
4.84 |
-8.9 |
-0.67 |
0 |
|
|
260001 |
103179076 |
1 |
NO5C15H23 |
AB5C15D23 |
-195.5 |
1.95 |
-8.5 |
-0.41 |
0 |
|
|
260002 |
103179077 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-149.31 |
4.75 |
-8.29 |
-0.31 |
0 |
|
|
260003 |
103179080 |
1 |
NO3C10H23 |
AB3C10D23 |
-147.46 |
2.43 |
-8.95 |
2.1 |
0 |
|
|
260004 |
103179081 |
1 |
NO5C15H23 |
AB5C15D23 |
-196.43 |
3.02 |
-8.31 |
-0.41 |
0 |
|
|
260005 |
103179087 |
1 |
NO5C13H19 |
AB5C13D19 |
-190.19 |
6.64 |
-9.09 |
-0.95 |
0 |
|
|
260006 |
103179088 |
1 |
NO3C11H25 |
AB3C11D25 |
-159.78 |
3.45 |
-8.76 |
2.15 |
0 |
|
|
260007 |
103179090 |
1 |
NO3C12H27 |
AB3C12D27 |
-163.87 |
2.85 |
-8.81 |
2.14 |
0 |
|
|
260008 |
103179093 |
1 |
NO3C12H25 |
AB3C12D25 |
-156.42 |
4.98 |
-9.36 |
1.84 |
0 |
|
|
260009 |
103179096 |
1 |
NO3C14H29 |
AB3C14D29 |
-167.68 |
2.48 |
-9.11 |
2.12 |
0 |
|
|
260010 |
103179099 |
1 |
NO5C13H19 |
AB5C13D19 |
-189.05 |
6.54 |
-8.73 |
-0.62 |
0 |
|
|
260011 |
103179100 |
1 |
NO3C14H29 |
AB3C14D29 |
-166.77 |
0.54 |
-8.66 |
2.12 |
0 |
|
|
260012 |
103179121 |
1 |
NO5C13H19 |
AB5C13D19 |
-187.86 |
8.7 |
-8.76 |
-0.57 |
0 |
|
|
260013 |
103179143 |
1 |
NO4C15H25 |
AB4C15D25 |
-166.82 |
3.31 |
-9.24 |
-0.05 |
0 |
|
|
260014 |
103179144 |
1 |
NO4C9H21 |
AB4C9D21 |
-187.99 |
3.27 |
-9.51 |
1.75 |
0 |
|
|
260015 |
103179145 |
1 |
NO4C16H27 |
AB4C16D27 |
-172.5 |
3.05 |
-9.18 |
-0.02 |
0 |
|
|
260016 |
103179146 |
1 |
NO4C10H23 |
AB4C10D23 |
-197.23 |
2.04 |
-9.46 |
1.94 |
0 |
|
|
260017 |
103179170 |
1 |
NO4C14H23 |
AB4C14D23 |
-162.09 |
3.25 |
-9.25 |
-0.06 |
0 |
|
|
260018 |
103179177 |
1 |
FINO2C12H17 |
ABCD2E12F17 |
-95.75 |
4.23 |
-8.23 |
-0.8 |
0 |
|
|
260019 |
103179178 |
1 |
O2N3C10H19 |
A2B3C10D19 |
-46.54 |
4.03 |
-8.16 |
0.85 |
0 |
|
|
260020 |
103179179 |
1 |
NO5C10H17 |
AB5C10D17 |
-172.74 |
5.02 |
-9.56 |
-0.13 |
0 |
|
|
260021 |
103179188 |
1 |
NO3C11H23 |
AB3C11D23 |
-124.57 |
4.04 |
-9.07 |
2.04 |
0 |
|
|
260022 |
103179189 |
1 |
NO3C12H25 |
AB3C12D25 |
-150.18 |
1.66 |
-8.79 |
2.14 |
0 |
|
|
260023 |
103179197 |
1 |
NSO2C12H21 |
ABC2D12E21 |
-69.34 |
2.78 |
-8.67 |
-0.01 |
0 |
|
|
260024 |
103179202 |
1 |
ClNO3C13H20 |
ABC3D13E20 |
-123.11 |
3.36 |
-9.18 |
-0.22 |
0 |
|
|
260025 |
103179208 |
1 |
NO2C15H33 |
AB2C15D33 |
-134.42 |
1.97 |
-8.84 |
2.32 |
0 |
|
|
260026 |
103179212 |
1 |
ClN2O3C14H23 |
AB2C3D14E23 |
-112.94 |
3.66 |
-9.3 |
-0.63 |
0 |
|
|
260027 |
103179213 |
1 |
ClNO3C12H18 |
ABC3D12E18 |
-113.25 |
4.08 |
-9.76 |
-0.37 |
0 |
|
|
260028 |
103179217 |
1 |
NSO2C11H23 |
ABC2D11E23 |
-102.0 |
1.63 |
-8.59 |
0.6 |
0 |
|
|
260029 |
103179218 |
1 |
ClNO4C10H16 |
ABC4D10E16 |
-139.04 |
4.42 |
-9.52 |
-0.12 |
0 |
|
|
260030 |
103179234 |
1 |
BrNO2C16H20 |
ABC2D16E20 |
-50.23 |
6.34 |
-8.23 |
-0.52 |
0 |
|
|
260031 |
103179261 |
1 |
NO3C15H25 |
AB3C15D25 |
-114.88 |
0.7 |
-8.87 |
0.21 |
0 |
|
|
260032 |
103179262 |
1 |
NSO4C11H17 |
ABC4D11E17 |
-153.82 |
2.76 |
-8.43 |
-0.64 |
0 |
|
|
260033 |
103179263 |
1 |
NO3C15H25 |
AB3C15D25 |
-113.47 |
2.75 |
-8.76 |
0.3 |
0 |
|
|
260034 |
103179264 |
1 |
NO2C15H25 |
AB2C15D25 |
-81.76 |
2.44 |
-8.86 |
0.51 |
0 |
|
|
260035 |
103179281 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-155.63 |
2.65 |
-8.48 |
-0.39 |
0 |
|
|
260036 |
103179292 |
1 |
ClNO4C13H18 |
ABC4D13E18 |
-166.28 |
2.04 |
-8.81 |
-0.69 |
0 |
|
|
260037 |
103179297 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-149.45 |
2.86 |
-8.93 |
-0.91 |
0 |
|
|
260038 |
103179304 |
1 |
N2O2C13H28 |
A2B2C13D28 |
-105.99 |
3.25 |
-8.53 |
2.09 |
0 |
|
|
260039 |
103179319 |
2 |
NO2C7H12 |
AB2C7D12 |
-161.82 |
3.87 |
-8.29 |
-0.14 |
0 |
|
|
260040 |
103179324 |
1 |
NO2F3C10H20 |
AB2C3D10E20 |
-263.19 |
3.88 |
-9.24 |
1.6 |
0 |
|
|
260041 |
103179331 |
1 |
NO4C10H23 |
AB4C10D23 |
-192.55 |
2.83 |
-9.48 |
1.7 |
0 |
|
|
260042 |
103179335 |
1 |
N3O4C11H19 |
A3B4C11D19 |
-126.65 |
1.41 |
-8.72 |
-0.12 |
0 |
|
|
260043 |
103179349 |
1 |
BrNO3C13H20 |
ABC3D13E20 |
-108.08 |
3.81 |
-8.64 |
0.06 |
0 |
|
|
260044 |
103179364 |
1 |
NO3C15H31 |
AB3C15D31 |
-164.08 |
3.91 |
-8.93 |
2.06 |
0 |
|
|
260045 |
103179369 |
1 |
ClFNO2C12H17 |
ABCD2E12F17 |
-122.28 |
6.18 |
-8.63 |
-0.27 |
0 |
|
|
260046 |
103179400 |
1 |
BrO3C13H19 |
AB3C13D19 |
-105.16 |
3.33 |
-9.47 |
-0.2 |
0 |
|
|
260047 |
103179401 |
1 |
N2O4C11H24 |
A2B4C11D24 |
-179.91 |
4.03 |
-9.38 |
1.37 |
0 |
|
|
260048 |
103179421 |
1 |
N2O3C11H24 |
A2B3C11D24 |
-148.73 |
3.36 |
-9.0 |
1.26 |
0 |
|
|
260049 |
103179425 |
1 |
BrSO3C11H17 |
ABC3D11E17 |
-105.92 |
4.05 |
-8.94 |
-0.2 |
0 |