List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29573 |
835389 |
1 |
NO3C18H19 |
AB3C18D19 |
-88.89 |
4.66 |
-9.23 |
-0.66 |
0 |
|
|
29574 |
835404 |
1 |
NOC14H21 |
ABC14D21 |
-63.57 |
3.55 |
-8.54 |
0.32 |
0 |
|
|
29575 |
835415 |
1 |
NO3C15H19 |
AB3C15D19 |
-127.48 |
5.14 |
-9.02 |
-0.1 |
0 |
|
|
29576 |
835416 |
1 |
NO3C17H17 |
AB3C17D17 |
-92.92 |
5.78 |
-9.06 |
-0.6 |
0 |
|
|
29577 |
835417 |
1 |
NSC14H17 |
ABC14D17 |
36.54 |
4.29 |
-8.47 |
-0.43 |
0 |
|
|
29578 |
835428 |
1 |
NO2C15H15 |
AB2C15D15 |
-39.74 |
3.16 |
-8.73 |
-0.48 |
0 |
|
|
29579 |
835429 |
1 |
FNOH12C14 |
ABCD12E14 |
-48.07 |
2.78 |
-8.69 |
-0.75 |
0 |
|
|
29580 |
835430 |
1 |
NSO2C13H21 |
ABC2D13E21 |
-94.36 |
6.33 |
-9.8 |
-0.42 |
0 |
|
|
29581 |
835439 |
1 |
NO2C16H17 |
AB2C16D17 |
-49.67 |
5.23 |
-8.48 |
-0.27 |
0 |
|
|
29582 |
835457 |
1 |
NO3C17H19 |
AB3C17D19 |
-86.67 |
4.28 |
-8.72 |
-0.42 |
0 |
|
|
29583 |
835473 |
1 |
NO3C16H17 |
AB3C16D17 |
-81.57 |
4.9 |
-8.22 |
-0.24 |
0 |
|
|
29584 |
835488 |
1 |
NO3C13H19 |
AB3C13D19 |
-120.16 |
3.49 |
-8.98 |
-0.18 |
0 |
|
|
29585 |
835491 |
1 |
NO2C16H17 |
AB2C16D17 |
-48.73 |
5.58 |
-8.4 |
-0.22 |
0 |
|
|
29586 |
835521 |
1 |
NO4C17H19 |
AB4C17D19 |
-119.6 |
4.57 |
-8.48 |
-0.31 |
0 |
|
|
29587 |
835527 |
2 |
OH7C9 |
AB7C9 |
-20.73 |
2.41 |
-8.7 |
-0.74 |
0 |
|
|
29588 |
835542 |
1 |
NO5C14H21 |
AB5C14D21 |
-222.44 |
1.89 |
-8.5 |
0.37 |
0 |
|
|
29589 |
835581 |
1 |
BrNO2H12C13 |
ABC2D12E13 |
-25.25 |
3.47 |
-8.85 |
-1.01 |
0 |
|
|
29590 |
835597 |
1 |
ON2C15H16 |
AB2C15D16 |
-13.06 |
4.59 |
-8.32 |
-0.13 |
0 |
|
|
29591 |
835598 |
1 |
ClN3O3H10C14 |
AB3C3D10E14 |
31.37 |
5.78 |
-9.48 |
-1.78 |
0 |
|
|
29592 |
835600 |
1 |
FNO2H14C20 |
ABC2D14E20 |
-45.9 |
3.03 |
-9.27 |
-0.92 |
0 |
|
|
29593 |
835651 |
1 |
NOC16H17 |
ABC16D17 |
-9.02 |
3.44 |
-8.81 |
0.0 |
0 |
|
|
29594 |
835657 |
1 |
NOC18H21 |
ABC18D21 |
-20.83 |
4.24 |
-8.68 |
-0.05 |
0 |
|
|
29595 |
835660 |
1 |
NO2C18H21 |
AB2C18D21 |
-67.75 |
2.7 |
-8.53 |
0.13 |
0 |
|
|
29596 |
835664 |
1 |
NOC14H25 |
ABC14D25 |
-95.62 |
4.08 |
-9.57 |
1.35 |
0 |
|
|
29597 |
835684 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-105.52 |
2.42 |
-8.69 |
-0.22 |
0 |
|
|
29598 |
835690 |
1 |
ClNOC15H18 |
ABCD15E18 |
-37.75 |
3.59 |
-9.37 |
-0.6 |
0 |
|
|
29599 |
835717 |
2 |
OC8H8 |
AB8C8 |
-54.56 |
3.12 |
-8.88 |
-0.61 |
0 |
|
|
29600 |
835718 |
1 |
FO2H13C15 |
AB2C13D15 |
-93.12 |
1.93 |
-9.0 |
-0.9 |
0 |
|
|
29601 |
835721 |
1 |
O3C16H16 |
A3B16C16 |
-84.83 |
1.4 |
-8.9 |
-0.7 |
0 |
|
|
29602 |
835724 |
1 |
NO3C17H19 |
AB3C17D19 |
-85.03 |
4.34 |
-8.49 |
-0.02 |
0 |
|
|
29603 |
835742 |
1 |
NO2C18H21 |
AB2C18D21 |
-63.04 |
3.26 |
-8.73 |
-0.51 |
0 |
|
|
29604 |
835744 |
1 |
NO3H15C22 |
AB3C15D22 |
6.78 |
4.42 |
-9.12 |
-0.97 |
0 |
|
|
29605 |
835745 |
1 |
NO3H15C22 |
AB3C15D22 |
4.52 |
3.69 |
-8.97 |
-1.13 |
0 |
|
|
29606 |
835756 |
1 |
N2O5H10C15 |
A2B5C10D15 |
-47.46 |
4.5 |
-9.16 |
-1.84 |
0 |
|
|
29607 |
835758 |
1 |
BrNO2H14C15 |
ABC2D14E15 |
-36.98 |
3.73 |
-9.02 |
-0.42 |
0 |
|
|
29608 |
835769 |
1 |
BrClON2H8C12 |
ABCD2E8F12 |
14.39 |
1.5 |
-9.24 |
-1.26 |
0 |
|
|
29609 |
835777 |
1 |
NOC17H19 |
ABC17D19 |
-19.59 |
3.94 |
-8.72 |
-0.02 |
0 |
|
|
29610 |
835779 |
1 |
ClNO4C16H16 |
ABC4D16E16 |
-119.43 |
9.05 |
-8.15 |
-0.28 |
0 |
|
|
29611 |
835782 |
1 |
N2O4H10C15 |
A2B4C10D15 |
-21.05 |
5.19 |
-9.22 |
-2.09 |
0 |
|
|
29612 |
835790 |
1 |
NO2C17H19 |
AB2C17D19 |
-54.67 |
3.39 |
-8.74 |
0.05 |
0 |
|
|
29613 |
835796 |
1 |
ON2C16H18 |
AB2C16D18 |
-4.2 |
4.76 |
-9.1 |
-0.07 |
0 |
|
|
29614 |
835799 |
1 |
N2F3O4H7C15 |
A2B3C4D7E15 |
-177.11 |
1.0 |
-9.86 |
-2.67 |
0 |
|
|
29615 |
835802 |
1 |
BrNOC16H16 |
ABCD16E16 |
-7.38 |
4.62 |
-8.92 |
-0.27 |
0 |
|
|
29616 |
835808 |
1 |
OSN2C14H16 |
ABC2D14E16 |
-19.64 |
3.74 |
-8.93 |
-0.73 |
0 |
|
|
29617 |
835813 |
1 |
N2O4H10C15 |
A2B4C10D15 |
-25.05 |
3.21 |
-9.08 |
-2.44 |
0 |
|
|
29618 |
835825 |
1 |
FN3O4H10C14 |
AB3C4D10E14 |
-143.82 |
3.78 |
-9.73 |
-2.14 |
0 |
|
|
29619 |
835835 |
1 |
NO2C17H19 |
AB2C17D19 |
-55.26 |
4.48 |
-8.76 |
0.02 |
0 |
|
|
29620 |
835836 |
1 |
ClNO2C17H18 |
ABC2D17E18 |
-65.33 |
4.07 |
-8.92 |
-0.28 |
0 |
|
|
29621 |
835845 |
1 |
NO2C17H19 |
AB2C17D19 |
-49.58 |
3.37 |
-8.76 |
0.14 |
0 |
|
|
29622 |
835853 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-56.46 |
5.16 |
-9.14 |
-0.3 |
0 |