List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
283750 |
104003937 |
1 |
BrClNO3C12H13 |
ABCD3E12F13 |
-114.19 |
1.89 |
-9.92 |
-0.92 |
0 |
|
|
283751 |
104003942 |
1 |
BrINOC13H15 |
ABCDE13F15 |
-11.51 |
3.71 |
-9.63 |
-1.28 |
0 |
|
|
283752 |
104004042 |
1 |
BrINO2C12H13 |
ABCD2E12F13 |
-50.81 |
2.33 |
-9.42 |
-1.29 |
0 |
|
|
283753 |
104004043 |
1 |
BrClNO2C12H13 |
ABCD2E12F13 |
-69.5 |
5.08 |
-9.62 |
-0.79 |
0 |
|
|
283754 |
104004044 |
1 |
BrClON2C14H20 |
ABCD2E14F20 |
-38.02 |
5.66 |
-8.86 |
-0.72 |
0 |
|
|
283755 |
104004159 |
1 |
N2S2O3C10H20 |
A2B2C3D10E20 |
-152.45 |
5.15 |
-9.04 |
0.27 |
0 |
|
|
283756 |
104004336 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-151.38 |
2.51 |
-9.88 |
0.31 |
0 |
|
|
283757 |
104004337 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-164.7 |
6.82 |
-9.91 |
0.35 |
0 |
|
|
283758 |
104004354 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-108.18 |
7.37 |
-9.93 |
-0.67 |
0 |
|
|
283759 |
104004496 |
1 |
N2O5C12H22 |
A2B5C12D22 |
-201.43 |
3.4 |
-9.93 |
0.34 |
0 |
|
|
283760 |
104004501 |
1 |
O3N4C13H20 |
A3B4C13D20 |
-118.34 |
7.04 |
-9.97 |
-0.04 |
0 |
|
|
283761 |
104004533 |
1 |
O3N4C10H16 |
A3B4C10D16 |
-109.21 |
7.06 |
-10.05 |
-0.05 |
0 |
|
|
283762 |
104004549 |
1 |
O4N5C12H19 |
A4B5C12D19 |
-155.75 |
11.75 |
-9.45 |
-0.01 |
0 |
|
|
283763 |
104004586 |
1 |
N3O5C13H21 |
A3B5C13D21 |
-212.53 |
3.41 |
-9.89 |
-0.12 |
0 |
|
|
283764 |
104004669 |
1 |
NSC14H21 |
ABC14D21 |
7.16 |
1.87 |
-8.22 |
0.29 |
0 |
|
|
283765 |
104004726 |
1 |
NOC14H21 |
ABC14D21 |
-28.8 |
1.74 |
-8.42 |
0.38 |
0 |
|
|
283766 |
104004915 |
1 |
SN2O3C11H20 |
AB2C3D11E20 |
-151.56 |
7.97 |
-8.94 |
0.36 |
0 |
|
|
283767 |
104005042 |
2 |
NC6H12 |
AB6C12 |
-18.91 |
1.6 |
-8.47 |
2.84 |
0 |
|
|
283768 |
104005054 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-94.5 |
7.31 |
-9.17 |
0.58 |
0 |
|
|
283769 |
104005324 |
1 |
NOC9H19 |
ABC9D19 |
-57.08 |
2.87 |
-8.77 |
2.16 |
0 |
|
|
283770 |
104005410 |
1 |
NOSC12H23 |
ABCD12E23 |
-48.61 |
3.68 |
-8.22 |
0.94 |
0 |
|
|
283771 |
104005422 |
1 |
NS2C9H17 |
AB2C9D17 |
-1.59 |
1.48 |
-8.73 |
0.43 |
0 |
|
|
283772 |
104005453 |
1 |
NC12H23 |
AB12C23 |
-24.44 |
1.46 |
-8.71 |
3.12 |
0 |
|
|
283773 |
104005514 |
1 |
NC10H19 |
AB10C19 |
-1.28 |
1.82 |
-8.82 |
2.65 |
0 |
|
|
283774 |
104005663 |
1 |
NOC14H21 |
ABC14D21 |
-29.89 |
2.29 |
-8.77 |
0.36 |
0 |
|
|
283775 |
104005669 |
1 |
BrNC14H20 |
ABC14D20 |
15.33 |
0.66 |
-8.81 |
-0.09 |
0 |
|
|
283776 |
104006053 |
1 |
NO2C17H25 |
AB2C17D25 |
-73.3 |
2.27 |
-8.55 |
0.25 |
0 |
|
|
283777 |
104006074 |
1 |
INOC14H20 |
ABCD14E20 |
-8.97 |
3.48 |
-9.15 |
-0.66 |
0 |
|
|
283778 |
104006141 |
1 |
NO2C16H25 |
AB2C16D25 |
-66.38 |
2.86 |
-8.9 |
0.32 |
0 |
|
|
283779 |
104006422 |
1 |
SN2O2C14H28 |
AB2C2D14E28 |
-114.96 |
5.05 |
-8.45 |
0.84 |
0 |
|
|
283780 |
104006437 |
1 |
ClN2C17H27 |
AB2C17D27 |
-15.43 |
2.33 |
-8.62 |
-0.11 |
0 |
|
|
283781 |
104006599 |
1 |
OSN3C11H19 |
ABC3D11E19 |
-19.94 |
5.73 |
-9.48 |
-0.52 |
0 |
|
|
283782 |
104006665 |
1 |
NCl2O2C14H21 |
AB2C2D14E21 |
-100.42 |
1.99 |
-9.12 |
-0.56 |
0 |
|
|
283783 |
104006857 |
1 |
NO3C11H23 |
AB3C11D23 |
-151.16 |
4.35 |
-9.16 |
1.8 |
0 |
|
|
283784 |
104007579 |
1 |
NO3F4C13H15 |
AB3C4D13E15 |
-321.6 |
6.51 |
-10.13 |
-1.15 |
0 |
|
|
283785 |
104007630 |
1 |
BrNSO3C15H22 |
ABCD3E15F22 |
-131.71 |
5.04 |
-8.84 |
-0.55 |
0 |
|
|
283786 |
104007681 |
1 |
BrN2O5C12H15 |
AB2C5D12E15 |
-112.09 |
3.72 |
-10.19 |
-1.88 |
0 |
|
|
283787 |
104007719 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-116.08 |
6.17 |
-9.88 |
-0.19 |
0 |
|
|
283788 |
104007762 |
1 |
NO3C16H23 |
AB3C16D23 |
-113.54 |
5.46 |
-9.46 |
0.13 |
0 |
|
|
283789 |
104007764 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-158.72 |
1.5 |
-9.7 |
-0.42 |
0 |
|
|
283790 |
104007768 |
1 |
Cl2N2O3C10H14 |
A2B2C3D10E14 |
-125.15 |
4.23 |
-9.27 |
-0.44 |
0 |
|
|
283791 |
104008040 |
1 |
NO5C10H19 |
AB5C10D19 |
-220.87 |
6.07 |
-9.75 |
0.88 |
0 |
|
|
283792 |
104008042 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-65.2 |
9.77 |
-9.54 |
-0.82 |
0 |
|
|
283793 |
104008043 |
1 |
NO3C9H17 |
AB3C9D17 |
-133.45 |
5.75 |
-9.64 |
0.21 |
0 |
|
|
283794 |
104008086 |
1 |
NCl2O3C13H17 |
AB2C3D13E17 |
-138.05 |
3.94 |
-9.64 |
-0.69 |
0 |
|
|
283795 |
104008092 |
1 |
BrNO4C13H18 |
ABC4D13E18 |
-148.83 |
5.08 |
-9.5 |
-0.46 |
0 |
|
|
283796 |
104008095 |
1 |
ClNO4C14H20 |
ABC4D14E20 |
-169.49 |
3.4 |
-9.11 |
-0.34 |
0 |
|
|
283797 |
104008102 |
1 |
SN2O4C14H22 |
AB2C4D14E22 |
-161.96 |
3.52 |
-9.37 |
-0.75 |
0 |
|
|
283798 |
104008209 |
2 |
NOC8H12 |
ABC8D12 |
-91.96 |
5.01 |
-8.51 |
-0.16 |
0 |
|
|
283799 |
104008484 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-80.14 |
4.62 |
-8.6 |
-0.42 |
0 |