List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
215947 |
85085486 |
1 |
O2H12C13 |
A2B12C13 |
-29.41 |
5.39 |
-9.54 |
-1.02 |
0 |
|
|
215948 |
85085488 |
1 |
ON2C12H14 |
AB2C12D14 |
-12.52 |
4.04 |
-8.48 |
-0.15 |
0 |
|
|
215949 |
85085489 |
1 |
ON2C12H14 |
AB2C12D14 |
98.42 |
2.04 |
-9.51 |
0.55 |
0 |
|
|
215950 |
85085490 |
1 |
SO2C10H18 |
AB2C10D18 |
-97.5 |
4.98 |
-8.73 |
0.29 |
0 |
|
|
215951 |
85085491 |
1 |
SiO3C9H18 |
AB3C9D18 |
-169.69 |
3.42 |
-8.78 |
0.07 |
0 |
|
|
215952 |
85085492 |
1 |
BrC9H15 |
AB9C15 |
-11.97 |
4.61 |
-8.98 |
0.15 |
0 |
|
|
215953 |
85085493 |
1 |
NO3H9C11 |
AB3C9D11 |
-56.23 |
2.75 |
-8.76 |
-0.33 |
0 |
|
|
215954 |
85085494 |
1 |
NO3H9C11 |
AB3C9D11 |
-73.79 |
1.7 |
-10.33 |
-1.69 |
0 |
|
|
215955 |
85085495 |
1 |
FNO3C9H14 |
ABC3D9E14 |
-197.2 |
5.14 |
-10.32 |
0.41 |
0 |
|
|
215956 |
85085496 |
1 |
NO4C9H17 |
AB4C9D17 |
-196.4 |
2.93 |
-9.35 |
1.15 |
0 |
|
|
215957 |
85085502 |
3 |
OC4H4 |
AB4C4 |
-102.96 |
3.26 |
-9.73 |
-0.01 |
0 |
|
|
215958 |
85085503 |
2 |
NO2C4H8 |
AB2C4D8 |
-173.22 |
4.22 |
-9.33 |
1.31 |
0 |
|
|
215959 |
85085504 |
2 |
NO2C4H8 |
AB2C4D8 |
-188.97 |
1.06 |
-9.7 |
0.34 |
0 |
|
|
215960 |
85085506 |
1 |
ON2C12H16 |
AB2C12D16 |
4.26 |
3.82 |
-9.43 |
0.32 |
0 |
|
|
215961 |
85085509 |
1 |
OC14H20 |
AB14C20 |
-40.68 |
2.55 |
-9.24 |
0.49 |
0 |
|
|
215962 |
85085510 |
1 |
OC14H20 |
AB14C20 |
-51.39 |
1.87 |
-9.56 |
1.23 |
0 |
|
|
215963 |
85085514 |
1 |
NO2C12H15 |
AB2C12D15 |
-77.42 |
4.93 |
-9.62 |
0.01 |
0 |
|
|
215964 |
85085515 |
1 |
NOSeC7H12 |
ABCD7E12 |
-10.23 |
1.51 |
0.0 |
0.0 |
0 |
|
|
215965 |
85085516 |
1 |
SC6H6O6 |
AB6C6D6 |
-251.31 |
0.53 |
-10.5 |
-1.5 |
0 |
|
|
215966 |
85085517 |
1 |
O4H10C11 |
A4B10C11 |
-115.43 |
8.35 |
-9.87 |
-1.39 |
0 |
|
|
215967 |
85085518 |
1 |
O2N4H8C9 |
A2B4C8D9 |
86.58 |
5.06 |
-7.96 |
-2.34 |
0 |
|
|
215968 |
85085519 |
1 |
ON4C10H14 |
AB4C10D14 |
23.64 |
3.81 |
-10.51 |
-1.47 |
0 |
|
|
215969 |
85085520 |
1 |
O2C13H18 |
A2B13C18 |
-97.05 |
3.99 |
-9.47 |
-0.14 |
0 |
|
|
215970 |
85085521 |
1 |
OSC12H14 |
ABC12D14 |
-2.13 |
1.27 |
-8.82 |
-0.26 |
0 |
|
|
215971 |
85085524 |
1 |
OC14H22 |
AB14C22 |
-85.57 |
3.63 |
-9.75 |
0.88 |
0 |