List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
291700 |
113460016 |
1 |
NOF3C13H22 |
ABC3D13E22 |
-219.34 |
3.51 |
-9.16 |
0.98 |
0 |
|
|
291701 |
113460043 |
1 |
OC18H20 |
AB18C20 |
-15.71 |
2.91 |
-9.11 |
-0.51 |
0 |
|
|
291702 |
113460094 |
1 |
NOC15H25 |
ABC15D25 |
-47.08 |
2.2 |
-8.88 |
0.49 |
0 |
|
|
291703 |
113460127 |
1 |
ClFNH11C16 |
ABCD11E16 |
13.21 |
2.42 |
-9.33 |
-1.04 |
0 |
|
|
291704 |
113460130 |
1 |
ON3C14H17 |
AB3C14D17 |
-0.54 |
6.65 |
-9.28 |
-0.44 |
0 |
|
|
291705 |
113460160 |
2 |
OC8H12 |
AB8C12 |
-99.64 |
3.61 |
-9.43 |
0.11 |
0 |
|
|
291706 |
113460172 |
1 |
BrClFH15C16 |
ABCD15E16 |
-27.77 |
2.25 |
-9.64 |
-0.47 |
0 |
|
|
291707 |
113460175 |
1 |
NCl2C15H15 |
AB2C15D15 |
17.38 |
2.33 |
-9.74 |
-0.53 |
0 |
|
|
291708 |
113460178 |
1 |
ClOC16H25 |
ABC16D25 |
-72.6 |
2.46 |
-9.58 |
-0.04 |
0 |
|
|
291709 |
113460190 |
1 |
BrOC16H17 |
ABC16D17 |
-17.79 |
2.2 |
-9.07 |
-0.57 |
0 |
|
|
291710 |
113460235 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
8.99 |
2.53 |
-8.87 |
-0.9 |
0 |
|
|
291711 |
113460244 |
1 |
ClN2C16H19 |
AB2C16D19 |
31.8 |
1.67 |
-8.78 |
0.13 |
0 |
|
|
291712 |
113460330 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-86.85 |
5.31 |
-8.35 |
0.1 |
0 |
|
|
291713 |
113460370 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-76.28 |
6.18 |
-8.89 |
-0.79 |
0 |
|
|
291714 |
113460400 |
1 |
SN2O2C13H18 |
AB2C2D13E18 |
-68.13 |
4.48 |
-8.51 |
-0.78 |
0 |
|
|
291715 |
113460454 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-101.88 |
5.31 |
-8.77 |
-0.41 |
0 |
|
|
291716 |
113460470 |
1 |
SN3O3C18H19 |
AB3C3D18E19 |
-51.46 |
9.42 |
-9.17 |
-1.2 |
0 |
|
|
291717 |
113460482 |
1 |
BrNO3C14H18 |
ABC3D14E18 |
-133.83 |
6.86 |
-10.03 |
-1.07 |
0 |
|
|
291718 |
113460488 |
1 |
BrNO3C14H16 |
ABC3D14E16 |
-119.59 |
3.62 |
-9.83 |
-0.64 |
0 |
|
|
291719 |
113460497 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-126.82 |
3.18 |
-9.71 |
-0.54 |
0 |
|
|
291720 |
113460506 |
1 |
BrNO3C14H16 |
ABC3D14E16 |
-119.03 |
4.45 |
-9.96 |
-0.71 |
0 |
|
|
291721 |
113460521 |
1 |
BrOC17H17 |
ABC17D17 |
-8.46 |
5.58 |
-9.66 |
-0.74 |
0 |
|
|
291722 |
113460542 |
1 |
BrNC16H18 |
ABC16D18 |
22.02 |
2.49 |
-8.98 |
-0.17 |
0 |
|
|
291723 |
113460560 |
1 |
NSBr2C14H15 |
ABC2D14E15 |
44.57 |
2.97 |
-9.0 |
-0.34 |
0 |
|
|
291724 |
113460575 |
1 |
BrN2C15H25 |
AB2C15D25 |
-7.72 |
3.0 |
-8.73 |
0.09 |
0 |
|
|
291725 |
113460578 |
1 |
BrN2C15H25 |
AB2C15D25 |
-2.2 |
4.16 |
-8.66 |
0.05 |
0 |
|
|
291726 |
113460599 |
1 |
BrNO2C15H18 |
ABC2D15E18 |
-79.32 |
4.94 |
-9.55 |
-0.51 |
0 |
|
|
291727 |
113460608 |
1 |
OBr2N2H12C14 |
AB2C2D12E14 |
8.53 |
4.67 |
-9.3 |
-0.79 |
0 |
|
|
291728 |
113460623 |
1 |
BrON2C15H15 |
ABC2D15E15 |
1.47 |
2.41 |
-9.78 |
-0.5 |
0 |
|
|
291729 |
113460665 |
1 |
BrON2C15H21 |
ABC2D15E21 |
-29.48 |
5.84 |
-8.87 |
-0.34 |
0 |
|
|
291730 |
113460862 |
1 |
BrN2C15H17 |
AB2C15D17 |
42.41 |
1.58 |
-9.19 |
-0.18 |
0 |
|
|
291731 |
113460896 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-48.32 |
3.83 |
-9.37 |
-0.58 |
0 |
|
|
291732 |
113461013 |
1 |
BrClF2H12C15 |
ABC2D12E15 |
-76.56 |
3.73 |
-9.67 |
-0.69 |
0 |
|
|
291733 |
113461039 |
1 |
BrNO3H12C13 |
ABC3D12E13 |
-73.55 |
0.99 |
-9.67 |
-1.33 |
0 |
|
|
291734 |
113461145 |
1 |
FN3O4H8C11 |
AB3C4D8E11 |
-65.04 |
7.71 |
-9.99 |
-2.17 |
0 |
|
|
291735 |
113461478 |
1 |
ClON2C14H17 |
ABC2D14E17 |
5.8 |
3.29 |
-9.3 |
-0.28 |
0 |
|
|
291736 |
113461720 |
1 |
NF2O2C13H13 |
AB2C2D13E13 |
-119.92 |
2.2 |
-9.32 |
-0.63 |
0 |
|
|
291737 |
113461786 |
1 |
NO2C15H27 |
AB2C15D27 |
-86.7 |
2.75 |
-8.81 |
0.65 |
0 |
|
|
291738 |
113462382 |
1 |
FNOC15H22 |
ABCD15E22 |
-94.12 |
1.25 |
-9.13 |
0.25 |
0 |
|
|
291739 |
113462487 |
1 |
NO3C13H17 |
AB3C13D17 |
-122.93 |
4.01 |
-8.88 |
-0.06 |
0 |
|
|
291740 |
113463070 |
1 |
OF3N4C10H17 |
AB3C4D10E17 |
-210.89 |
4.38 |
-9.53 |
0.13 |
0 |
|
|
291741 |
113463845 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-92.17 |
3.02 |
-9.17 |
0.97 |
0 |
|
|
291742 |
113464395 |
1 |
N2O2S2C11H18 |
A2B2C2D11E18 |
-52.41 |
3.91 |
-9.3 |
-0.96 |
0 |
|
|
291743 |
113464574 |
1 |
N2C15H22 |
A2B15C22 |
43.83 |
3.14 |
-9.04 |
0.62 |
0 |
|
|
291744 |
113464598 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-10.89 |
4.84 |
-8.36 |
0.14 |
0 |
|
|
291745 |
113465508 |
1 |
N3C14H29 |
A3B14C29 |
-18.07 |
1.24 |
-8.54 |
1.31 |
0 |
|
|
291746 |
113465511 |
2 |
NOC7H11 |
ABC7D11 |
-42.31 |
2.59 |
-8.41 |
0.05 |
0 |
|
|
291747 |
113465607 |
1 |
NO2C14H25 |
AB2C14D25 |
-103.32 |
4.44 |
-9.01 |
1.14 |
0 |
|
|
291748 |
113466212 |
1 |
BrFOSN2C11H14 |
ABCDE2F11G14 |
-78.18 |
0.82 |
-8.85 |
-0.7 |
0 |
|
|
291749 |
113466216 |
1 |
ON4C12H20 |
AB4C12D20 |
-15.5 |
2.42 |
-8.21 |
0.42 |
0 |