List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374993 |
131408706 |
1 |
SO3C11H12 |
AB3C11D12 |
-100.71 |
3.71 |
-8.17 |
-0.65 |
0 |
|
|
374994 |
131408708 |
1 |
SO3C11H12 |
AB3C11D12 |
-93.75 |
3.68 |
-8.28 |
-0.63 |
0 |
|
|
374995 |
131408714 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-45.33 |
5.01 |
-8.6 |
-1.23 |
0 |
|
|
374996 |
131408715 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-52.48 |
7.59 |
-9.04 |
-1.24 |
0 |
|
|
374997 |
131408727 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-53.15 |
5.84 |
-8.71 |
-1.5 |
0 |
|
|
374998 |
131408728 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-46.09 |
3.72 |
-8.7 |
-1.67 |
0 |
|
|
374999 |
131408730 |
1 |
ClN4C9H11 |
AB4C9D11 |
53.38 |
2.47 |
-9.64 |
-1.23 |
0 |
|
|
375000 |
131408732 |
1 |
ClN4C9H11 |
AB4C9D11 |
61.14 |
5.67 |
-9.42 |
-0.52 |
0 |
|
|
375001 |
131408734 |
1 |
ClON2C10H11 |
ABC2D10E11 |
3.58 |
2.87 |
-9.67 |
-0.42 |
0 |
|
|
375002 |
131408735 |
1 |
ClON2C10H11 |
ABC2D10E11 |
-10.53 |
2.61 |
-9.17 |
-0.4 |
0 |
|
|
375003 |
131408736 |
1 |
ClON2C10H11 |
ABC2D10E11 |
4.79 |
2.65 |
-9.58 |
-0.42 |
0 |
|
|
375004 |
131461485 |
1 |
BrFNO2C10H11 |
ABCD2E10F11 |
-82.08 |
1.79 |
-8.8 |
-0.48 |
0 |
|
|
375005 |
131465131 |
1 |
NSO2H9C10 |
ABC2D9E10 |
-39.05 |
1.97 |
-9.22 |
-1.12 |
0 |
|
|
375006 |
131465136 |
1 |
NO2C12H17 |
AB2C12D17 |
-51.0 |
1.7 |
-10.12 |
-0.73 |
0 |
|
|
375007 |
131465140 |
1 |
ON2H10C11 |
AB2C10D11 |
18.19 |
5.83 |
-8.71 |
-0.24 |
0 |
|
|
375008 |
131465164 |
2 |
NOC5H8 |
ABC5D8 |
-85.21 |
3.35 |
-8.95 |
0.05 |
0 |
|
|
375009 |
131465165 |
2 |
NOC5H8 |
ABC5D8 |
-82.68 |
4.22 |
-9.02 |
0.11 |
0 |
|
|
375010 |
131465167 |
1 |
ClNOF3C10H11 |
ABCD3E10F11 |
-199.35 |
5.44 |
-9.85 |
-0.54 |
0 |
|
|
375011 |
131465181 |
1 |
OSN2H4C9 |
ABC2D4E9 |
65.47 |
2.41 |
-9.38 |
-1.93 |
0 |
|
|
375012 |
131465183 |
1 |
ClN2C13H15 |
AB2C13D15 |
33.89 |
2.77 |
-8.67 |
0.04 |
0 |
|
|
375013 |
131465185 |
1 |
OF3N3C9H12 |
AB3C3D9E12 |
-166.04 |
7.45 |
-10.21 |
-1.83 |
0 |
|
|
375014 |
131465186 |
1 |
OF3N3C9H12 |
AB3C3D9E12 |
-165.23 |
5.52 |
-10.05 |
-1.94 |
0 |
|
|
375015 |
131465188 |
1 |
SN2C11H12 |
AB2C11D12 |
44.26 |
4.26 |
-8.87 |
-0.64 |
0 |
|
|
375016 |
131465198 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-49.8 |
1.23 |
-9.36 |
-0.62 |
0 |
|
|
375017 |
131465200 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-54.55 |
4.05 |
-8.16 |
0.66 |
0 |
|
|
375018 |
131465204 |
1 |
ISO3H7C10 |
ABC3D7E10 |
-78.23 |
3.97 |
-9.1 |
-1.35 |
0 |
|
|
375019 |
131465215 |
1 |
ON3C10H13 |
AB3C10D13 |
5.93 |
4.0 |
-8.64 |
-0.43 |
0 |
|
|
375020 |
131465222 |
1 |
SN5C8H9 |
AB5C8D9 |
91.13 |
1.97 |
-8.6 |
-1.42 |
0 |
|
|
375021 |
131465223 |
1 |
SN5C8H9 |
AB5C8D9 |
87.08 |
6.2 |
-8.77 |
-1.51 |
0 |
|
|
375022 |
131465226 |
1 |
NO2C12H17 |
AB2C12D17 |
-92.45 |
2.23 |
-8.25 |
0.39 |
0 |
|
|
375023 |
131465228 |
1 |
ON2C12H16 |
AB2C12D16 |
-4.96 |
4.61 |
-8.86 |
0.5 |
0 |
|
|
375024 |
131465231 |
1 |
FNOC12H14 |
ABCD12E14 |
-55.91 |
1.97 |
-8.96 |
-0.03 |
0 |
|
|
375025 |
131465232 |
1 |
NOC12H15 |
ABC12D15 |
-7.19 |
1.77 |
-8.88 |
0.39 |
0 |
|
|
375026 |
131465246 |
1 |
FON2C12H15 |
ABC2D12E15 |
-47.64 |
1.19 |
-8.91 |
-0.45 |
0 |
|
|
375027 |
131465249 |
1 |
BrNOC12H14 |
ABCD12E14 |
-6.0 |
2.15 |
-9.02 |
-0.03 |
0 |
|
|
375028 |
131465253 |
1 |
NO2C13H17 |
AB2C13D17 |
-48.55 |
2.0 |
-8.72 |
0.33 |
0 |
|
|
375029 |
131465254 |
1 |
N4C11H16 |
A4B11C16 |
55.12 |
7.04 |
-9.26 |
0.11 |
0 |
|
|
375030 |
131465257 |
1 |
N4C11H16 |
A4B11C16 |
37.9 |
2.64 |
-8.88 |
0.51 |
0 |
|
|
375031 |
131465260 |
1 |
NO4C10H13 |
AB4C10D13 |
-165.29 |
6.03 |
-9.59 |
0.1 |
0 |
|
|
375032 |
131465267 |
1 |
BrNOC12H18 |
ABCD12E18 |
-39.33 |
5.07 |
-8.5 |
0.08 |
0 |
|
|
375033 |
131465276 |
2 |
NC6H8 |
AB6C8 |
27.7 |
5.41 |
-8.6 |
-0.24 |
0 |
|
|
375034 |
131465279 |
2 |
NC6H8 |
AB6C8 |
31.37 |
4.34 |
-8.54 |
-0.39 |
0 |
|
|
375035 |
131465280 |
1 |
ClN2H7C8 |
AB2C7D8 |
48.47 |
5.83 |
-8.8 |
-0.8 |
0 |
|
|
375036 |
131465281 |
1 |
BClO2N3C13H21 |
ABC2D3E13F21 |
-156.74 |
5.28 |
-8.33 |
-0.18 |
0 |
|
|
375037 |
131465284 |
1 |
BClN3O4C19H31 |
ABC3D4E19F31 |
-277.0 |
4.77 |
-8.32 |
-0.17 |
0 |
|
|
375038 |
131465296 |
1 |
BrClNOH9C11 |
ABCDE9F11 |
-1.55 |
4.67 |
-9.99 |
-1.07 |
0 |
|
|
375039 |
131465298 |
1 |
INO2C12H16 |
ABC2D12E16 |
-39.8 |
2.75 |
-8.48 |
-0.74 |
0 |
|
|
375040 |
131465301 |
1 |
INO3C11H14 |
ABC3D11E14 |
-81.3 |
1.76 |
-8.58 |
-0.8 |
0 |
|
|
375041 |
131465311 |
1 |
O2N3C8H11 |
A2B3C8D11 |
-13.38 |
6.04 |
-9.77 |
-0.81 |
0 |
|
|
375042 |
131465312 |
1 |
BrNO2F3H7C9 |
ABC2D3E7F9 |
-220.18 |
4.74 |
-9.1 |
-0.7 |
0 |
|
|
375043 |
131465324 |
1 |
O2N3C8H11 |
A2B3C8D11 |
-46.48 |
2.0 |
-9.06 |
-0.15 |
0 |
|
|
375044 |
131465340 |
1 |
NO2F3H8C10 |
AB2C3D8E10 |
-200.8 |
4.32 |
-10.21 |
-1.38 |
0 |
|
|
375045 |
131465353 |
1 |
BrNO2F3H7C9 |
ABC2D3E7F9 |
-221.65 |
3.25 |
-9.11 |
-0.9 |
0 |
|
|
375046 |
131465354 |
1 |
BrNO2F3H7C9 |
ABC2D3E7F9 |
-220.53 |
3.56 |
-9.24 |
-1.02 |
0 |
|
|
375047 |
131465355 |
1 |
BrNO2F3H7C9 |
ABC2D3E7F9 |
-221.63 |
5.11 |
-9.05 |
-0.93 |
0 |
|
|
375048 |
131465361 |
1 |
N2O2F3H7C8 |
A2B2C3D7E8 |
-211.39 |
1.82 |
-9.63 |
-1.15 |
0 |
|
|
375049 |
131465370 |
1 |
NO2H11C12 |
AB2C11D12 |
-51.26 |
5.63 |
-9.67 |
-0.72 |
0 |
|
|
375050 |
131465374 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-68.0 |
2.23 |
-8.64 |
-0.77 |
0 |
|
|
375051 |
131465375 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-67.35 |
1.98 |
-8.59 |
-0.7 |
0 |
|
|
375052 |
131465378 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-67.49 |
2.02 |
-8.65 |
-0.82 |
0 |
|
|
375053 |
131465381 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-68.7 |
6.54 |
-8.74 |
-0.89 |
0 |
|
|
375054 |
131465382 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-68.95 |
5.36 |
-8.76 |
-0.8 |
0 |
|
|
375055 |
131465384 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-65.94 |
5.38 |
-8.84 |
-0.91 |
0 |
|
|
375056 |
131465387 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-67.35 |
4.89 |
-8.76 |
-0.88 |
0 |
|
|
375057 |
131465389 |
1 |
ClF3N3H7C9 |
AB3C3D7E9 |
-107.79 |
4.8 |
-10.49 |
-1.47 |
0 |
|
|
375058 |
131465392 |
1 |
ClN2C13H15 |
AB2C13D15 |
19.73 |
2.97 |
-9.31 |
0.0 |
0 |
|
|
375059 |
131465400 |
1 |
BrClNOF3H6C8 |
ABCDE3F6G8 |
-186.25 |
1.68 |
-10.35 |
-1.31 |
0 |
|
|
375060 |
131465403 |
1 |
BrClNOF3H6C8 |
ABCDE3F6G8 |
-184.97 |
2.89 |
-10.39 |
-1.28 |
0 |
|
|
375061 |
131465405 |
1 |
BrClNOF3H6C8 |
ABCDE3F6G8 |
-184.19 |
2.31 |
-10.17 |
-1.21 |
0 |
|
|
375062 |
131465408 |
1 |
N5C11H17 |
A5B11C17 |
69.71 |
1.83 |
-8.98 |
-0.34 |
0 |
|
|
375063 |
131465410 |
1 |
N5C11H17 |
A5B11C17 |
75.33 |
2.54 |
-8.97 |
-0.29 |
0 |
|
|
375064 |
131465411 |
1 |
N5C11H17 |
A5B11C17 |
69.48 |
6.68 |
-8.71 |
0.04 |
0 |
|
|
375065 |
131465413 |
1 |
BrClON2F3H5C7 |
ABCD2E3F5G7 |
-179.18 |
2.9 |
-9.98 |
-1.24 |
0 |
|
|
375066 |
131465414 |
1 |
BrClNOF3H6C8 |
ABCDE3F6G8 |
-189.08 |
4.26 |
-9.98 |
-1.1 |
0 |
|
|
375067 |
131465416 |
1 |
BrClNOF3H6C8 |
ABCDE3F6G8 |
-187.33 |
1.77 |
-10.18 |
-1.21 |
0 |