List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
400356 |
135047656 |
1 |
CrNO5C19H29 |
ABC5D19E29 |
35.65 |
12.82 |
-7.2 |
-0.42 |
0 |
|
|
400357 |
135047657 |
1 |
BWO2N6C19H25 |
ABC2D6E19F25 |
189.99 |
11.69 |
-7.01 |
-0.08 |
0 |
|
|
400359 |
135047660 |
1 |
CrC7H12 |
AB7C12 |
162.75 |
2.84 |
-6.63 |
0.6 |
0 |
|
|
400360 |
135047662 |
1 |
CrNO5C21H25 |
ABC5D21E25 |
-693.81 |
10.8 |
-8.31 |
-1.42 |
-2 |
|
|
400363 |
135047666 |
1 |
PC15H25 |
AB15C25 |
-24.25 |
1.28 |
-9.09 |
0.3 |
-2 |
|
|
400365 |
135047677 |
1 |
NTaCl3C22H32 |
ABC3D22E32 |
-83.59 |
3.89 |
0.0 |
0.0 |
0 |
|
|
400366 |
135047694 |
1 |
CrO4H10C12 |
AB4C10D12 |
105.51 |
2.59 |
-6.24 |
0.27 |
0 |
|
|
400367 |
135047707 |
2 |
PdO2C9H15 |
AB2C9D15 |
-125.82 |
4.58 |
-6.81 |
0.83 |
2 |
|
|
400368 |
135047724 |
1 |
RhC17H23 |
AB17C23 |
44.75 |
12.78 |
-9.2 |
-3.62 |
0 |
|
|
400369 |
135047725 |
1 |
IrOPC29H30 |
ABCD29E30 |
59.29 |
39.9 |
-9.01 |
-4.69 |
0 |
|
|
400370 |
135047727 |
1 |
FeO6C13H14 |
AB6C13D14 |
-98.25 |
6.75 |
-7.14 |
-1.0 |
0 |
|
|
400371 |
135047728 |
1 |
O3C10H14 |
A3B10C14 |
-102.1 |
1.98 |
-9.66 |
-0.95 |
0 |
|
|
400372 |
135047729 |
1 |
FeO4H14C16 |
AB4C14D16 |
61.72 |
1.8 |
-7.48 |
0.37 |
0 |
|
|
400373 |
135047730 |
1 |
OC13H14 |
AB13C14 |
4.13 |
0.72 |
-8.68 |
0.29 |
0 |
|
|
400374 |
135047731 |
1 |
FeO6C18H18 |
AB6C18D18 |
-70.87 |
4.6 |
-7.3 |
0.19 |
0 |
|
|
400375 |
135047739 |
2 |
CoO3C6H6 |
AB3C6D6 |
-245.6 |
8.98 |
-9.63 |
-7.4 |
0 |
|
|
400378 |
135047745 |
1 |
RhC11H17 |
AB11C17 |
58.32 |
9.63 |
-10.56 |
-3.37 |
0 |
|
|
400379 |
135047747 |
1 |
O2Rh2P6H10C11F18 |
A2B2C6D10E11F18 |
-1466.65 |
14.11 |
-10.67 |
-5.2 |
0 |
|
|
400380 |
135047748 |
1 |
NO2Rh2P6H9C14F18 |
AB2C2D6E9F14G18 |
-1259.66 |
21.83 |
-9.75 |
-4.94 |
0 |
|
|
400381 |
135047749 |
1 |
NO2Rh2P6H7C9F18 |
AB2C2D6E7F9G18 |
-1374.44 |
18.64 |
-9.93 |
-4.7 |
-1 |
|
|
400382 |
135047750 |
1 |
FePO4F6C13H13 |
ABC4D6E13F13 |
-569.84 |
5.76 |
-8.59 |
-0.47 |
0 |
|
|
400383 |
135047751 |
1 |
FeO5H12C14 |
AB5C12D14 |
-17.24 |
5.4 |
-7.22 |
-0.72 |
-1 |
|
|
400385 |
135047753 |
1 |
FeO4H16C17 |
AB4C16D17 |
46.24 |
3.8 |
-6.96 |
0.74 |
0 |
|
|
400386 |
135047754 |
1 |
OC14H16 |
AB14C16 |
-4.05 |
0.66 |
-8.6 |
0.38 |
-1 |
|
|
400387 |
135047755 |
1 |
O3C20H31 |
A3B20C31 |
-140.75 |
4.14 |
0.0 |
0.0 |
0 |
|
|
400388 |
135047758 |
1 |
OH20C21 |
AB20C21 |
78.65 |
0.91 |
-8.7 |
-0.13 |
0 |
|
|
400389 |
135047759 |
1 |
SO4C14H16 |
AB4C14D16 |
-115.74 |
5.38 |
-10.07 |
-0.41 |
0 |
|
|
400390 |
135047761 |
1 |
NO4C13H17 |
AB4C13D17 |
-146.19 |
4.3 |
-9.65 |
-0.04 |
0 |
|
|
400391 |
135047762 |
1 |
NO2C8H13 |
AB2C8D13 |
1.87 |
4.22 |
-9.63 |
-0.52 |
-2 |
|
|
400392 |
135047769 |
1 |
IrPC26H30 |
ABC26D30 |
152.32 |
6.82 |
-9.11 |
-4.37 |
0 |
|
|
400393 |
135047781 |
1 |
C8H11 |
A8B11 |
26.46 |
0.54 |
0.0 |
0.0 |
0 |
|
|
400394 |
135047782 |
1 |
FeO4C12H14 |
AB4C12D14 |
-16.53 |
2.09 |
-7.67 |
0.23 |
0 |
|
|
400395 |
135047783 |
1 |
OC9H14 |
AB9C14 |
-34.47 |
1.2 |
-9.18 |
0.25 |
0 |
|
|
400397 |
135047785 |
1 |
O5C15H24 |
A5B15C24 |
-232.64 |
1.85 |
-9.87 |
0.04 |
0 |
|
|
400398 |
135047786 |
1 |
SiO3C17H26 |
AB3C17D26 |
-139.85 |
0.79 |
-9.09 |
0.1 |
0 |
|
|
400399 |
135047788 |
1 |
S2O6C25H30 |
A2B6C25D30 |
-208.44 |
1.77 |
-9.82 |
-0.32 |
0 |
|
|
400400 |
135047789 |
1 |
O3C12H14 |
A3B12C14 |
-101.08 |
3.42 |
-9.82 |
-0.1 |
0 |
|
|
400401 |
135047791 |
1 |
O4C13H20 |
A4B13C20 |
-182.18 |
3.42 |
-10.4 |
0.02 |
-1 |
|
|
400402 |
135047793 |
1 |
CoPO4H20C26 |
ABC4D20E26 |
-45.01 |
18.45 |
-10.88 |
-5.29 |
-2 |
|
|
400403 |
135047796 |
1 |
IrB2F8C20H29 |
AB2C8D20E29 |
-535.18 |
19.63 |
-8.07 |
-4.18 |
0 |
|
|
400404 |
135047797 |
1 |
IrOPH22C28 |
ABCD22E28 |
205.98 |
37.07 |
-8.99 |
-4.69 |
-2 |
|
|
400405 |
135047799 |
1 |
IrOB2F8C17H23 |
ABC2D8E17F23 |
-536.93 |
16.59 |
-8.48 |
-4.59 |
-2 |
|
|
400407 |
135047801 |
1 |
IrB2F8C18H25 |
AB2C8D18E25 |
-543.8 |
14.36 |
-6.41 |
-2.72 |
-1 |
|
|
400408 |
135047803 |
3 |
O2C5H7 |
A2B5C7 |
-243.63 |
1.56 |
0.0 |
0.0 |
0 |
|
|
400409 |
135047804 |
1 |
O6C15H22 |
A6B15C22 |
-264.52 |
4.79 |
-8.75 |
0.0 |
0 |
|
|
400410 |
135047807 |
1 |
OSiC10H18 |
ABC10D18 |
-72.41 |
1.09 |
-9.15 |
-0.18 |
0 |
|
|
400411 |
135047813 |
2 |
O2C11H15 |
A2B11C15 |
-100.26 |
1.82 |
-9.12 |
0.3 |
-1 |
|
|
400412 |
135047820 |
1 |
CoHC5O5 |
ABC5D5 |
-147.96 |
26.26 |
-10.62 |
-4.76 |
-1 |
|
|
400414 |
135047854 |
1 |
FeSiO4C34H40 |
ABC4D34E40 |
152.27 |
3.74 |
-7.27 |
-0.11 |
0 |
|
|
400415 |
135047855 |
1 |
OSiC31H40 |
ABC31D40 |
-5.82 |
2.01 |
-8.92 |
-0.12 |
0 |