List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4923 |
12284 |
2 |
O2C3H5 |
A2B3C5 |
-196.25 |
6.17 |
-10.95 |
-0.15 |
0 |
|
|
4924 |
12285 |
1 |
O3C7H10 |
A3B7C10 |
-137.24 |
1.69 |
-10.42 |
0.28 |
0 |
|
|
4925 |
12286 |
1 |
BrNH4C5 |
ABC4D5 |
36.9 |
2.09 |
-10.0 |
-0.62 |
0 |
|
|
4926 |
12291 |
1 |
NC6H13 |
AB6C13 |
-16.09 |
1.63 |
-8.53 |
3.01 |
0 |
|
|
4927 |
12292 |
1 |
O4C7H12 |
A4B7C12 |
-198.84 |
2.47 |
-11.0 |
0.3 |
0 |
|
|
4928 |
12293 |
1 |
O2C9H18 |
A2B9C18 |
-129.43 |
1.68 |
-10.79 |
0.86 |
0 |
|
|
4929 |
12294 |
2 |
OC5H10 |
AB5C10 |
-133.81 |
2.07 |
-10.72 |
0.84 |
0 |
|
|
4930 |
12297 |
1 |
OC6H14 |
AB6C14 |
-81.36 |
2.04 |
-10.41 |
2.93 |
0 |
|
|
4931 |
12298 |
1 |
NOC5H11 |
ABC5D11 |
-68.52 |
3.87 |
-10.43 |
1.18 |
0 |
|
|
4932 |
12299 |
1 |
O2C5H8 |
A2B5C8 |
-83.82 |
5.8 |
-10.91 |
-0.16 |
0 |
|
|
4933 |
12300 |
1 |
ClO2C4H7 |
AB2C4D7 |
-111.3 |
3.93 |
-10.82 |
0.44 |
0 |
|
|
4934 |
12301 |
1 |
O3C4H8 |
A3B4C8 |
-135.21 |
5.8 |
-10.79 |
0.57 |
0 |
|
|
4935 |
12303 |
1 |
ON2C4H10 |
AB2C4D10 |
-61.3 |
3.65 |
-9.94 |
1.19 |
0 |
|
|
4936 |
12304 |
1 |
OC6H14 |
AB6C14 |
-72.5 |
1.49 |
-9.63 |
2.36 |
0 |
|
|
4937 |
12305 |
1 |
Cl2O2C3H4 |
A2B2C3D4 |
-105.31 |
2.58 |
-11.0 |
-0.87 |
0 |
|
|
4938 |
12307 |
1 |
NC3O3H7 |
AB3C3D7 |
-48.88 |
3.58 |
-11.66 |
-0.95 |
0 |
|
|
4939 |
12308 |
1 |
BrOC3H7 |
ABC3D7 |
-58.44 |
1.94 |
-10.53 |
-0.12 |
0 |
|
|
4940 |
12310 |
1 |
C5H8 |
A5B8 |
30.77 |
0.19 |
-9.95 |
2.04 |
0 |
|
|
4941 |
12311 |
1 |
ClC4H5 |
AB4C5 |
19.25 |
1.62 |
-9.51 |
-0.22 |
0 |
|
|
4942 |
12312 |
1 |
ClC4H5 |
AB4C5 |
23.27 |
2.24 |
-9.8 |
0.14 |
0 |
|
|
4943 |
12314 |
1 |
I2C3H6 |
A2B3C6 |
14.41 |
1.42 |
-9.94 |
-1.18 |
0 |
|
|
4944 |
12315 |
1 |
NC4H11 |
AB4C11 |
-14.04 |
1.75 |
-8.9 |
3.1 |
0 |
|
|
4945 |
12317 |
1 |
FOC3H7 |
ABC3D7 |
-97.9 |
0.36 |
-10.05 |
1.99 |
0 |
|
|
4947 |
12321 |
1 |
SC4H6 |
AB4C6 |
35.12 |
1.23 |
-8.48 |
0.5 |
0 |
|
|
4948 |
12322 |
2 |
C4H7 |
A4B7 |
-1.35 |
1.45 |
-9.59 |
1.28 |
0 |
|
|
4949 |
12324 |
2 |
ClHOC2 |
ABCD2 |
-70.99 |
0.01 |
-11.63 |
-2.36 |
0 |
|
|
4950 |
12326 |
1 |
ClO2N4C6H15 |
AB2C4D6E15 |
-116.05 |
5.87 |
-9.67 |
0.09 |
0 |
|
|
4951 |
12329 |
2 |
O2C4H7 |
A2B4C7 |
-196.5 |
0.84 |
-11.04 |
0.67 |
0 |
|
|
4952 |
12330 |
8 |
CH2 |
AB2 |
-25.74 |
0.68 |
-9.09 |
1.63 |
0 |
|
|
4953 |
12331 |
1 |
OC7H16 |
AB7C16 |
-80.46 |
2.04 |
-10.36 |
2.69 |
0 |
|
|
4954 |
12332 |
1 |
NOC6H13 |
ABC6D13 |
-73.57 |
3.92 |
-10.44 |
1.17 |
0 |
|
|
4955 |
12333 |
1 |
NO2C5H11 |
AB2C5D11 |
-38.92 |
4.41 |
-10.8 |
-0.29 |
0 |
|
|
4956 |
12335 |
1 |
IC5H11 |
AB5C11 |
-13.92 |
1.95 |
-9.75 |
-0.75 |
0 |
|
|
4957 |
12336 |
1 |
ClNC4H6 |
ABC4D6 |
4.19 |
3.25 |
-10.92 |
0.54 |
0 |
|
|
4958 |
12340 |
1 |
OC5H12 |
AB5C12 |
-63.7 |
1.5 |
-9.6 |
2.29 |
0 |
|
|
4959 |
12341 |
1 |
ClOC4H9 |
ABC4D9 |
-65.1 |
2.28 |
-10.04 |
0.56 |
0 |
|
|
4960 |
12342 |
2 |
CNOH2 |
ABCD2 |
-51.71 |
0.02 |
-9.38 |
0.08 |
0 |
|
|
4961 |
12346 |
1 |
OC8H18 |
AB8C18 |
-78.69 |
1.36 |
-9.48 |
2.35 |
0 |
|
|
4962 |
12347 |
1 |
ClC8H17 |
AB8C17 |
-56.33 |
2.51 |
-10.46 |
1.02 |
0 |
|
|
4963 |
12349 |
1 |
NO3C5H11 |
AB3C5D11 |
-140.95 |
1.87 |
-9.86 |
0.6 |
0 |
|
|
4964 |
12350 |
1 |
C7H12 |
A7B12 |
25.94 |
1.22 |
-10.61 |
1.81 |
0 |
|
|
4965 |
12352 |
1 |
NC6H11 |
AB6C11 |
0.85 |
4.02 |
-11.55 |
1.32 |
0 |
|
|
4966 |
12354 |
1 |
I2C5H10 |
A2B5C10 |
3.7 |
1.53 |
-9.87 |
-0.94 |
0 |
|
|
4968 |
12359 |
1 |
HgC2N2O2 |
AB2C2D2 |
60.32 |
0.05 |
-10.25 |
0.15 |
0 |
|
|
4969 |
12361 |
1 |
ClO2C4H9 |
AB2C4D9 |
-104.87 |
1.56 |
-10.39 |
0.35 |
0 |
|
|
4970 |
12362 |
1 |
O3C4H10 |
A3B4C10 |
-132.34 |
1.44 |
-10.22 |
1.68 |
0 |
|
|
4971 |
12363 |
1 |
C7H12 |
A7B12 |
-5.92 |
0.38 |
-9.37 |
1.52 |
0 |
|
|
4972 |
12364 |
2 |
NOC3H6 |
ABC3D6 |
-114.11 |
7.93 |
-9.93 |
0.65 |
0 |
|
|
4973 |
12365 |
1 |
CH2N2O6 |
AB2C2D6 |
-62.83 |
2.57 |
-12.25 |
-1.69 |
0 |
|
|
4974 |
12366 |
2 |
OC9H18 |
AB9C18 |
-170.46 |
1.7 |
-10.55 |
0.89 |
0 |