List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
262000 |
103265595 |
1 |
NO3C12H17 |
AB3C12D17 |
-103.53 |
6.67 |
-9.53 |
-0.29 |
0 |
|
|
262001 |
103265675 |
1 |
NO3C11H19 |
AB3C11D19 |
-132.34 |
4.72 |
-9.33 |
0.56 |
0 |
|
|
262002 |
103265759 |
1 |
NSO2C17H21 |
ABC2D17E21 |
-56.62 |
8.34 |
-9.38 |
-0.83 |
0 |
|
|
262003 |
103265873 |
1 |
NSO2C10H19 |
ABC2D10E19 |
-97.73 |
3.65 |
-8.53 |
0.56 |
0 |
|
|
262004 |
103265985 |
1 |
BrNO2C9H14 |
ABC2D9E14 |
-62.67 |
2.6 |
-8.6 |
-0.66 |
0 |
|
|
262005 |
103265995 |
1 |
NO2C14H17 |
AB2C14D17 |
-38.91 |
4.48 |
-9.48 |
-0.35 |
0 |
|
|
262006 |
103266033 |
1 |
N3O3C11H17 |
A3B3C11D17 |
-102.0 |
7.21 |
-10.38 |
-1.25 |
0 |
|
|
262007 |
103266035 |
1 |
NO3C10H21 |
AB3C10D21 |
-159.77 |
4.02 |
-8.98 |
0.61 |
0 |
|
|
262008 |
103266039 |
1 |
O3N4C10H18 |
A3B4C10D18 |
-83.56 |
7.47 |
-9.62 |
-0.73 |
0 |
|
|
262009 |
103266069 |
1 |
NO3C10H19 |
AB3C10D19 |
-140.64 |
5.66 |
-9.4 |
0.59 |
0 |
|
|
262010 |
103266076 |
1 |
NO3C11H21 |
AB3C11D21 |
-140.03 |
3.27 |
-9.04 |
-0.09 |
0 |
|
|
262011 |
103266124 |
1 |
NSO2C11H23 |
ABC2D11E23 |
-126.36 |
1.79 |
-8.03 |
1.06 |
0 |
|
|
262012 |
103266187 |
1 |
NO3C14H19 |
AB3C14D19 |
-103.59 |
7.63 |
-9.46 |
-0.55 |
0 |
|
|
262013 |
103266318 |
1 |
NO2C12H15 |
AB2C12D15 |
-48.19 |
5.06 |
-9.4 |
-0.7 |
0 |
|
|
262014 |
103266319 |
1 |
NO3C11H15 |
AB3C11D15 |
-87.75 |
7.0 |
-9.69 |
-0.62 |
0 |
|
|
262015 |
103266365 |
1 |
NO4C14H19 |
AB4C14D19 |
-147.72 |
5.8 |
-9.57 |
-0.66 |
0 |
|
|
262016 |
103266437 |
1 |
BrFNO3H13C15 |
ABCD3E13F15 |
-116.81 |
5.18 |
-9.05 |
-0.86 |
0 |
|
|
262017 |
103266518 |
1 |
N2O4C11H22 |
A2B4C11D22 |
-194.37 |
4.58 |
-9.24 |
0.39 |
0 |
|
|
262018 |
103266539 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-13.94 |
6.32 |
-10.46 |
-1.36 |
0 |
|
|
262019 |
103266593 |
1 |
FNO3C13H18 |
ABC3D13E18 |
-158.15 |
4.33 |
-8.59 |
0.01 |
0 |
|
|
262020 |
103266600 |
1 |
BrFNO2C11H13 |
ABCD2E11F13 |
-119.48 |
1.29 |
-8.89 |
-0.88 |
0 |
|
|
262021 |
103266610 |
1 |
FNO2C16H16 |
ABC2D16E16 |
-96.31 |
4.83 |
-9.04 |
-0.45 |
0 |
|
|
262022 |
103266652 |
1 |
NSO3C11H17 |
ABC3D11E17 |
-123.84 |
5.22 |
-9.55 |
-1.28 |
0 |
|
|
262023 |
103266653 |
1 |
NO3C10H19 |
AB3C10D19 |
-152.3 |
5.66 |
-9.4 |
-0.36 |
0 |
|
|
262024 |
103266666 |
1 |
N2O5C13H18 |
A2B5C13D18 |
-128.62 |
8.18 |
-9.72 |
-1.79 |
0 |
|
|
262025 |
103266701 |
1 |
NSO3C11H17 |
ABC3D11E17 |
-111.5 |
4.13 |
-8.62 |
-0.55 |
0 |
|
|
262026 |
103266733 |
1 |
SN2O3C11H22 |
AB2C3D11E22 |
-151.27 |
7.29 |
-8.51 |
0.36 |
0 |
|
|
262027 |
103266761 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-139.34 |
8.11 |
-9.41 |
-1.08 |
0 |
|
|
262028 |
103266797 |
1 |
SN2O2C11H18 |
AB2C2D11E18 |
-72.68 |
5.14 |
-9.32 |
-1.52 |
0 |
|
|
262029 |
103266846 |
1 |
NSO3C12H17 |
ABC3D12E17 |
-96.19 |
6.13 |
-8.26 |
-0.96 |
0 |
|
|
262030 |
103266862 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-64.39 |
6.06 |
-10.32 |
-1.32 |
0 |
|
|
262031 |
103266899 |
1 |
NO2C12H21 |
AB2C12D21 |
-99.29 |
3.04 |
-8.96 |
-0.32 |
0 |
|
|
262032 |
103266922 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-38.96 |
4.87 |
-8.94 |
-0.43 |
0 |
|
|
262033 |
103266931 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-51.39 |
4.95 |
-9.21 |
-0.28 |
0 |
|
|
262034 |
103266935 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-36.02 |
5.25 |
-9.06 |
-1.19 |
0 |
|
|
262035 |
103266942 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-60.65 |
1.83 |
-9.09 |
-0.18 |
0 |
|
|
262036 |
103266943 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-46.84 |
5.75 |
-9.18 |
-1.06 |
0 |
|
|
262037 |
103266950 |
1 |
N2O3C12H24 |
A2B3C12D24 |
-148.1 |
2.87 |
-8.58 |
0.6 |
0 |
|
|
262038 |
103267035 |
1 |
NO3C15H23 |
AB3C15D23 |
-126.07 |
6.37 |
-9.54 |
-0.72 |
0 |
|
|
262039 |
103267111 |
1 |
NO3H13C14 |
AB3C13D14 |
-37.1 |
4.81 |
-9.51 |
-0.98 |
0 |
|
|
262040 |
103267116 |
1 |
ON3C7H13 |
AB3C7D13 |
1.41 |
3.97 |
-9.69 |
1.03 |
0 |
|
|
262041 |
103267120 |
1 |
NO2C9H13 |
AB2C9D13 |
-31.51 |
4.43 |
-9.7 |
0.49 |
0 |
|
|
262042 |
103267215 |
1 |
NO3C11H19 |
AB3C11D19 |
-138.27 |
5.38 |
-9.49 |
-0.26 |
0 |
|
|
262043 |
103267220 |
1 |
NSO3C12H17 |
ABC3D12E17 |
-111.43 |
6.09 |
-9.2 |
-1.32 |
0 |
|
|
262044 |
103267240 |
1 |
NO3C12H21 |
AB3C12D21 |
-134.78 |
3.28 |
-9.16 |
-0.23 |
0 |
|
|
262045 |
103267241 |
1 |
NO4C14H21 |
AB4C14D21 |
-148.33 |
3.38 |
-9.39 |
-0.56 |
0 |
|
|
262046 |
103267270 |
1 |
N2F3O3C11H19 |
A2B3C3D11E19 |
-300.42 |
8.15 |
-9.15 |
0.48 |
0 |
|
|
262047 |
103267286 |
1 |
NO3C11H21 |
AB3C11D21 |
-158.21 |
4.14 |
-9.91 |
0.41 |
0 |
|
|
262048 |
103267291 |
1 |
BrNO2C11H20 |
ABC2D11E20 |
-118.13 |
2.13 |
-8.45 |
-0.58 |
0 |
|
|
262049 |
103267311 |
1 |
NO2F3C11H18 |
AB2C3D11E18 |
-278.03 |
4.19 |
-9.62 |
-0.01 |
0 |