List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
199095 |
79196700 |
1 |
ON3C12H19 |
AB3C12D19 |
-28.93 |
4.85 |
-9.5 |
-0.07 |
0 |
|
|
199096 |
79196701 |
1 |
ON2C13H20 |
AB2C13D20 |
-42.12 |
5.25 |
-8.85 |
0.12 |
0 |
|
|
199097 |
79196702 |
1 |
ON5C13H17 |
AB5C13D17 |
27.67 |
5.41 |
-9.01 |
-0.84 |
0 |
|
|
199098 |
79196703 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-43.8 |
2.8 |
-8.92 |
-1.45 |
0 |
|
|
199099 |
79196705 |
1 |
ON4C12H16 |
AB4C12D16 |
8.66 |
2.65 |
-8.62 |
-0.4 |
0 |
|
|
199100 |
79196706 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-120.77 |
1.04 |
-9.2 |
0.88 |
0 |
|
|
199101 |
79197244 |
2 |
O2C5H9 |
A2B5C9 |
-188.94 |
2.9 |
-9.7 |
0.11 |
0 |
|
|
199102 |
79197245 |
1 |
O4C11H20 |
A4B11C20 |
-192.21 |
2.42 |
-9.6 |
0.12 |
0 |
|
|
199103 |
79197246 |
1 |
ON3C13H21 |
AB3C13D21 |
-28.51 |
2.29 |
-9.18 |
-0.38 |
0 |
|
|
199104 |
79197327 |
1 |
NOF2C13H19 |
ABC2D13E19 |
-134.86 |
1.77 |
-9.01 |
-0.26 |
0 |
|
|
199105 |
79197415 |
1 |
NO2C15H23 |
AB2C15D23 |
-84.75 |
2.71 |
-8.39 |
0.32 |
0 |
|
|
199106 |
79197416 |
1 |
BrFNOC12H17 |
ABCDE12F17 |
-87.48 |
0.27 |
-9.48 |
-0.47 |
0 |
|
|
199107 |
79198930 |
1 |
NO4C11H21 |
AB4C11D21 |
-211.96 |
0.93 |
-10.07 |
0.44 |
0 |
|
|
199108 |
79199393 |
1 |
N3O3C14H17 |
A3B3C14D17 |
-62.89 |
3.71 |
-9.22 |
-1.1 |
0 |
|
|
199109 |
79199767 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-168.8 |
3.76 |
-9.58 |
0.91 |
0 |
|
|
199110 |
79199768 |
2 |
ON2C7H9 |
AB2C7D9 |
-40.04 |
6.85 |
-8.85 |
-0.87 |
0 |
|
|
199111 |
79199892 |
2 |
NO2C6H8 |
AB2C6D8 |
-94.78 |
8.27 |
-9.46 |
-1.26 |
0 |
|
|
199112 |
79200247 |
2 |
NO2C6H9 |
AB2C6D9 |
-149.24 |
5.37 |
-8.66 |
-0.23 |
0 |
|
|
199113 |
79200404 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-138.81 |
4.92 |
-8.9 |
-0.16 |
0 |
|
|
199114 |
79200405 |
1 |
INO2C12H16 |
ABC2D12E16 |
-78.2 |
6.38 |
-8.83 |
-0.71 |
0 |
|
|
199115 |
79200692 |
2 |
NO2C5H6 |
AB2C5D6 |
-84.89 |
1.53 |
-9.67 |
-1.51 |
0 |
|
|
199116 |
79201100 |
1 |
O2N4C9H12 |
A2B4C9D12 |
16.12 |
3.12 |
-9.47 |
-0.41 |
0 |
|
|
199117 |
79201211 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-143.64 |
4.23 |
-8.74 |
0.0 |
0 |
|
|
199118 |
79201298 |
2 |
NOC5H11 |
ABC5D11 |
-118.13 |
3.86 |
-8.94 |
1.33 |
0 |
|
|
199119 |
79201333 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-126.92 |
2.44 |
-8.63 |
1.0 |
0 |
|
|
199120 |
79201412 |
2 |
NO2C6H8 |
AB2C6D8 |
-159.22 |
6.22 |
-9.13 |
-0.28 |
0 |
|
|
199121 |
79201576 |
1 |
ClN2O4C13H17 |
AB2C4D13E17 |
-166.37 |
8.2 |
-9.45 |
-1.07 |
0 |
|
|
199122 |
79201616 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-165.4 |
7.27 |
-9.84 |
0.89 |
0 |
|
|
199123 |
79201865 |
1 |
SN2O3C12H22 |
AB2C3D12E22 |
-145.84 |
1.68 |
-8.98 |
0.28 |
0 |
|
|
199124 |
79201866 |
2 |
NOC8H11 |
ABC8D11 |
-53.06 |
3.36 |
-8.89 |
-0.39 |
0 |
|
|
199125 |
79201910 |
1 |
ON3C13H27 |
AB3C13D27 |
-75.53 |
4.16 |
-8.71 |
1.04 |
0 |
|
|
199126 |
79201911 |
1 |
SN2O3C13H20 |
AB2C3D13E20 |
-118.59 |
3.6 |
-9.52 |
-0.59 |
0 |
|
|
199127 |
79201971 |
1 |
ON3C16H21 |
AB3C16D21 |
-14.15 |
5.86 |
-8.45 |
-0.03 |
0 |
|
|
199128 |
79202019 |
1 |
ON3C11H25 |
AB3C11D25 |
-67.77 |
3.9 |
-8.65 |
1.56 |
0 |
|
|
199129 |
79202438 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-106.23 |
4.49 |
-9.13 |
0.73 |
0 |
|
|
199130 |
79202439 |
2 |
NOC5H11 |
ABC5D11 |
-110.69 |
2.93 |
-9.41 |
1.5 |
0 |
|
|
199131 |
79202440 |
1 |
ON2C14H20 |
AB2C14D20 |
-14.21 |
3.73 |
-8.86 |
0.28 |
0 |
|
|
199132 |
79202985 |
1 |
ON3C11H23 |
AB3C11D23 |
-75.66 |
5.08 |
-9.31 |
1.44 |
0 |
|
|
199133 |
79203046 |
1 |
BrON5C13H20 |
ABC5D13E20 |
-3.61 |
2.51 |
-9.08 |
-0.75 |
0 |
|
|
199134 |
79203242 |
1 |
ClNO4C12H14 |
ABC4D12E14 |
-175.01 |
4.4 |
-9.49 |
-1.06 |
0 |
|
|
199135 |
79203243 |
1 |
S2N3O3C12H17 |
A2B3C3D12E17 |
-102.71 |
3.36 |
-8.9 |
-0.93 |
0 |
|
|
199136 |
79203244 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
2.71 |
9.84 |
-9.55 |
-0.82 |
0 |
|
|
199137 |
79203429 |
1 |
NO3C12H19 |
AB3C12D19 |
-126.57 |
2.24 |
-9.43 |
0.19 |
0 |
|
|
199138 |
79203550 |
1 |
N2S2O3C14H20 |
A2B2C3D14E20 |
-100.21 |
2.01 |
-8.91 |
-1.07 |
0 |
|
|
199139 |
79203728 |
1 |
NSO4C15H23 |
ABC4D15E23 |
-194.13 |
1.89 |
-9.19 |
-0.66 |
0 |
|
|
199140 |
79204097 |
1 |
ClOSN2H15C16 |
ABCD2E15F16 |
25.8 |
2.86 |
-9.14 |
-1.26 |
0 |
|
|
199141 |
79204098 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-36.04 |
3.57 |
-8.91 |
-0.08 |
0 |
|
|
199142 |
79204099 |
1 |
O2N3C16H17 |
A2B3C16D17 |
9.1 |
1.7 |
-8.47 |
-1.1 |
0 |
|
|
199143 |
79204144 |
1 |
NO4C14H21 |
AB4C14D21 |
-166.59 |
5.74 |
-8.36 |
0.15 |
0 |
|
|
199144 |
79204174 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-54.38 |
4.08 |
-8.95 |
-0.64 |
0 |