List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13124 |
221751 |
1 |
O3C15H22 |
A3B15C22 |
-139.8 |
2.39 |
-8.55 |
0.49 |
0 |
|
|
13125 |
221752 |
1 |
O2C15H26 |
A2B15C26 |
-142.68 |
2.22 |
-10.37 |
0.98 |
0 |
|
|
13126 |
221763 |
1 |
O5C9H18 |
A5B9C18 |
-228.99 |
3.23 |
-10.1 |
-0.16 |
0 |
|
|
13127 |
221783 |
1 |
OC13H18 |
AB13C18 |
-33.69 |
2.28 |
-9.23 |
0.32 |
0 |
|
|
13128 |
221803 |
1 |
NOCl2C11H13 |
ABC2D11E13 |
-56.64 |
3.55 |
-9.86 |
-0.89 |
0 |
|
|
13129 |
221837 |
1 |
NOC13H19 |
ABC13D19 |
-47.93 |
3.53 |
-9.16 |
-0.06 |
0 |
|
|
13130 |
221854 |
1 |
N2O5H10C16 |
A2B5C10D16 |
26.65 |
8.59 |
-9.64 |
-1.84 |
0 |
|
|
13131 |
221861 |
1 |
NO4C17H17 |
AB4C17D17 |
-53.4 |
4.97 |
-9.36 |
-1.98 |
0 |
|
|
13132 |
221864 |
1 |
NO2C19H23 |
AB2C19D23 |
-80.55 |
4.36 |
-8.58 |
-0.56 |
0 |
|
|
13133 |
221865 |
1 |
N3O4H17C20 |
A3B4C17D20 |
66.21 |
9.66 |
-9.54 |
-1.44 |
0 |
|
|
13134 |
221874 |
1 |
ClN2O4H19C20 |
AB2C4D19E20 |
-108.88 |
1.69 |
-9.43 |
-0.77 |
0 |
|
|
13135 |
221875 |
1 |
BrClO2C4H6 |
ABC2D4E6 |
-100.16 |
2.75 |
-10.75 |
-0.41 |
0 |
|
|
13136 |
221900 |
1 |
ClO2C11H13 |
AB2C11D13 |
-84.45 |
3.02 |
-9.52 |
-0.2 |
0 |
|
|
13137 |
221901 |
1 |
ClO2C11H13 |
AB2C11D13 |
-83.13 |
2.77 |
-9.43 |
-0.13 |
0 |
|
|
13138 |
221902 |
1 |
ClO2C11H13 |
AB2C11D13 |
-82.38 |
4.42 |
-9.46 |
-0.2 |
0 |
|
|
13139 |
221919 |
1 |
Cl2O2C13H16 |
A2B2C13D16 |
-104.5 |
3.44 |
-9.5 |
-0.5 |
0 |
|
|
13140 |
221926 |
1 |
O2C13H18 |
A2B13C18 |
-90.52 |
1.6 |
-9.17 |
0.52 |
0 |
|
|
13141 |
221957 |
2 |
OC9H16 |
AB9C16 |
-158.39 |
2.33 |
-10.54 |
0.93 |
0 |
|
|
13142 |
221958 |
1 |
O3C18H34 |
A3B18C34 |
-199.26 |
2.85 |
-9.85 |
0.67 |
0 |
|
|
13143 |
221959 |
1 |
O2C19H28 |
A2B19C28 |
-111.83 |
1.45 |
-9.61 |
0.08 |
0 |
|
|
13144 |
221962 |
1 |
NO2C6H13 |
AB2C6D13 |
-110.18 |
3.41 |
-9.83 |
1.04 |
0 |
|
|
13145 |
221970 |
1 |
ClOC9H11 |
ABC9D11 |
-45.92 |
1.99 |
-9.54 |
-0.16 |
0 |
|
|
13146 |
221992 |
1 |
ClO2C12H15 |
AB2C12D15 |
-89.94 |
2.57 |
-9.59 |
-0.28 |
0 |
|
|
13147 |
221996 |
1 |
ON2C12H18 |
AB2C12D18 |
-25.76 |
2.93 |
-8.79 |
0.16 |
0 |
|
|
13148 |
221998 |
1 |
NO4C12H23 |
AB4C12D23 |
-137.79 |
6.48 |
-10.45 |
-0.36 |
0 |
|
|
13149 |
222079 |
1 |
N3O4C6H7 |
A3B4C6D7 |
-92.65 |
6.98 |
-9.02 |
-1.2 |
0 |
|
|
13150 |
222126 |
1 |
ClO3C21H25 |
AB3C21D25 |
-130.92 |
1.63 |
-9.05 |
-1.08 |
0 |
|
|
13151 |
222211 |
1 |
Br2O4C13H22 |
A2B4C13D22 |
-214.78 |
2.17 |
-10.75 |
-0.87 |
0 |
|
|
13152 |
222214 |
1 |
O5C14H26 |
A5B14C26 |
-261.14 |
1.28 |
-10.77 |
-0.09 |
0 |
|
|
13153 |
222215 |
1 |
O6C15H28 |
A6B15C28 |
-296.11 |
2.41 |
-9.98 |
-0.18 |
0 |
|
|
13154 |
222221 |
1 |
N3O3C5H11 |
A3B3C5D11 |
-125.19 |
4.77 |
-9.92 |
-0.01 |
0 |
|
|
13155 |
222250 |
1 |
ClN5C6H6 |
AB5C6D6 |
71.49 |
3.16 |
-9.23 |
-0.7 |
0 |
|
|
13156 |
222254 |
1 |
BrClON4H8C12 |
ABCD4E8F12 |
71.54 |
1.77 |
-9.64 |
-1.09 |
0 |
|
|
13157 |
222270 |
1 |
NO3C20H23 |
AB3C20D23 |
-74.54 |
5.2 |
-8.69 |
-0.32 |
0 |
|
|
13158 |
222299 |
1 |
S2C3H4N4 |
A2B3C4D4 |
67.05 |
2.83 |
-9.66 |
-1.23 |
0 |
|
|
13159 |
222300 |
2 |
C2N3H4 |
A2B3C4 |
56.98 |
4.29 |
-9.17 |
-0.18 |
0 |
|
|
13160 |
222307 |
1 |
SO6C14H26 |
AB6C14D26 |
-304.73 |
5.95 |
-10.77 |
0.3 |
0 |
|
|
13161 |
222308 |
2 |
NC7H14 |
AB7C14 |
-20.63 |
4.69 |
-9.6 |
1.02 |
0 |
|
|
13162 |
222334 |
1 |
ClO2C11H13 |
AB2C11D13 |
-86.16 |
2.98 |
-9.79 |
-0.8 |
0 |
|
|
13163 |
222335 |
1 |
ClO2C11H13 |
AB2C11D13 |
-91.29 |
2.25 |
-9.93 |
-0.87 |
0 |
|
|
13164 |
222337 |
1 |
ClO3C11H13 |
AB3C11D13 |
-117.77 |
3.51 |
-9.08 |
-0.06 |
0 |
|
|
13165 |
222338 |
1 |
BrO2C11H21 |
AB2C11D21 |
-135.72 |
2.8 |
-10.67 |
-0.76 |
0 |
|
|
13166 |
222343 |
2 |
OC6H7 |
AB6C7 |
-76.15 |
2.43 |
-10.02 |
-0.54 |
0 |
|
|
13167 |
222368 |
1 |
ClO2C9H9 |
AB2C9D9 |
-74.53 |
3.36 |
-9.41 |
-0.2 |
0 |
|
|
13168 |
222370 |
2 |
ClOC5H5 |
ABC5D5 |
-89.74 |
3.23 |
-9.81 |
-0.81 |
0 |
|
|
13169 |
222385 |
1 |
ClO2C13H15 |
AB2C13D15 |
-92.19 |
2.33 |
-9.92 |
-0.86 |
0 |
|
|
13170 |
222389 |
1 |
ClO3C13H17 |
AB3C13D17 |
-130.95 |
2.6 |
-9.97 |
-1.02 |
0 |
|
|
13171 |
222394 |
1 |
ClO2C14H17 |
AB2C14D17 |
-91.63 |
2.44 |
-9.35 |
-0.13 |
0 |
|
|
13172 |
222395 |
1 |
ClO2C14H19 |
AB2C14D19 |
-105.16 |
2.22 |
-9.92 |
-0.86 |
0 |
|
|
13173 |
222410 |
2 |
OC8H14 |
AB8C14 |
-149.35 |
2.1 |
-10.52 |
1.01 |
0 |