List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
216072 |
85085669 |
1 |
O3C13H18 |
A3B13C18 |
-131.95 |
2.62 |
-9.6 |
0.18 |
0 |
|
|
216073 |
85085670 |
1 |
OH14C16 |
AB14C16 |
35.59 |
3.24 |
-9.37 |
-0.28 |
0 |
|
|
216074 |
85085671 |
1 |
SO2C12H14 |
AB2C12D14 |
-29.08 |
6.89 |
-10.28 |
-0.64 |
0 |
|
|
216075 |
85085673 |
2 |
OC7H11 |
AB7C11 |
-103.07 |
3.81 |
-8.97 |
0.54 |
0 |
|
|
216076 |
85085675 |
2 |
OC7H11 |
AB7C11 |
-102.08 |
2.36 |
-9.3 |
0.4 |
0 |
|
|
216077 |
85085678 |
1 |
SiO2C11H24 |
AB2C11D24 |
-140.03 |
2.06 |
-8.85 |
0.67 |
0 |
|
|
216078 |
85085679 |
1 |
SiO2C12H17 |
AB2C12D17 |
-37.31 |
1.9 |
0.0 |
0.0 |
0 |
|
|
216079 |
85085680 |
1 |
SiO2C12H18 |
AB2C12D18 |
-79.4 |
1.23 |
-8.06 |
0.16 |
0 |
|
|
216080 |
85085682 |
2 |
C8H15 |
A8B15 |
-41.32 |
0.62 |
-9.0 |
1.01 |
0 |
|
|
216081 |
85085683 |
1 |
ClON4C9H11 |
ABC4D9E11 |
-20.47 |
4.57 |
-9.07 |
-0.3 |
0 |
|
|
216082 |
85085684 |
1 |
ClO4C9H15 |
AB4C9D15 |
-202.67 |
1.77 |
-10.47 |
0.53 |
0 |
|
|
216083 |
85085685 |
1 |
ON3C13H17 |
AB3C13D17 |
-6.68 |
5.04 |
-9.36 |
-0.27 |
0 |
|
|
216084 |
85085686 |
1 |
NO3C12H17 |
AB3C12D17 |
-125.88 |
2.69 |
-9.47 |
0.28 |
0 |
|
|
216085 |
85085687 |
1 |
NO3C12H17 |
AB3C12D17 |
-108.68 |
3.07 |
-8.9 |
-0.62 |
0 |
|
|
216086 |
85085689 |
1 |
IOC6H9 |
ABC6D9 |
-8.07 |
2.54 |
-9.52 |
-0.73 |
0 |
|
|
216087 |
85085690 |
1 |
BrNO2C7H14 |
ABC2D7E14 |
-105.91 |
1.59 |
-10.02 |
-0.26 |
0 |
|
|
216088 |
85085692 |
4 |
OC3H4 |
AB3C4 |
-134.36 |
3.12 |
-9.52 |
-0.4 |
0 |
|
|
216089 |
85085693 |
1 |
O3C13H20 |
A3B13C20 |
-146.15 |
2.0 |
-9.92 |
0.41 |
0 |
|
|
216090 |
85085695 |
1 |
S2O4C7H12 |
A2B4C7D12 |
-151.69 |
2.7 |
-8.55 |
-0.12 |
0 |
|
|
216091 |
85085696 |
1 |
OC16H16 |
AB16C16 |
4.05 |
4.85 |
-9.47 |
-0.59 |
0 |
|
|
216092 |
85085697 |
2 |
NOC6H10 |
ABC6D10 |
-76.39 |
0.02 |
-8.63 |
-0.12 |
0 |
|
|
216093 |
85085698 |
2 |
NOC6H10 |
ABC6D10 |
-46.55 |
2.58 |
-9.71 |
-0.7 |
0 |
|
|
216094 |
85085700 |
1 |
OS2C11H12 |
AB2C11D12 |
-5.58 |
4.74 |
-9.18 |
-0.42 |
0 |
|
|
216095 |
85085701 |
1 |
OC15H28 |
AB15C28 |
-76.67 |
1.93 |
-9.07 |
1.11 |
0 |
|
|
216096 |
85085704 |
1 |
NO2H11C14 |
AB2C11D14 |
-0.06 |
6.91 |
-8.86 |
-1.39 |
0 |
|
|
216097 |
85085710 |
1 |
O5C11H14 |
A5B11C14 |
-192.36 |
5.12 |
-10.06 |
-0.78 |
0 |
|
|
216098 |
85085711 |
2 |
NO2C5H7 |
AB2C5D7 |
-119.31 |
3.08 |
-10.43 |
-1.08 |
0 |
|
|
216099 |
85085713 |
1 |
ON4C12H12 |
AB4C12D12 |
26.89 |
5.82 |
-8.78 |
-0.32 |
0 |
|
|
216100 |
85085715 |
2 |
O2C6H9 |
A2B6C9 |
-161.75 |
6.16 |
-9.79 |
0.63 |
0 |
|
|
216101 |
85085716 |
2 |
O2C6H9 |
A2B6C9 |
-186.94 |
1.95 |
-9.73 |
0.65 |
0 |
|
|
216102 |
85085721 |
1 |
O3C13H22 |
A3B13C22 |
-164.93 |
4.02 |
-9.46 |
1.74 |
0 |
|
|
216103 |
85085728 |
1 |
ClN4C10H15 |
AB4C10D15 |
41.82 |
2.76 |
-8.62 |
0.02 |
0 |
|
|
216104 |
85085733 |
1 |
O5C11H16 |
A5B11C16 |
-224.54 |
2.47 |
-9.95 |
-0.26 |
0 |
|
|
216105 |
85085740 |
1 |
ON2C14H16 |
AB2C14D16 |
36.74 |
6.64 |
-8.4 |
-0.44 |
0 |
|
|
216106 |
85085741 |
1 |
O3C13H24 |
A3B13C24 |
-150.89 |
1.73 |
-9.78 |
1.33 |
0 |
|
|
216107 |
85085743 |
1 |
BrOC10H13 |
ABC10D13 |
-25.66 |
4.34 |
-9.99 |
-0.06 |
0 |
|
|
216108 |
85085744 |
1 |
NO5C10H15 |
AB5C10D15 |
-148.09 |
3.24 |
-10.93 |
-1.19 |
0 |
|
|
216109 |
85085745 |
1 |
NO5C10H15 |
AB5C10D15 |
-198.35 |
6.61 |
-10.0 |
0.06 |
0 |
|
|
216110 |
85085747 |
1 |
NO4C11H19 |
AB4C11D19 |
-181.53 |
3.27 |
-9.79 |
0.92 |
0 |
|
|
216111 |
85085748 |
1 |
NO4C11H19 |
AB4C11D19 |
-191.19 |
1.73 |
-9.95 |
0.33 |
0 |
|
|
216112 |
85085749 |
1 |
NO2C14H15 |
AB2C14D15 |
9.83 |
2.74 |
-9.66 |
0.1 |
0 |
|
|
216113 |
85085750 |
1 |
NO2C14H15 |
AB2C14D15 |
-51.53 |
2.57 |
-9.52 |
-1.09 |
0 |
|
|
216114 |
85085751 |
1 |
NOSH11C13 |
ABCD11E13 |
50.19 |
2.78 |
-8.6 |
-0.38 |
0 |
|
|
216115 |
85085752 |
1 |
SO2N3C9H15 |
AB2C3D9E15 |
-39.47 |
9.78 |
-8.51 |
-0.92 |
0 |
|
|
216116 |
85085753 |
1 |
NO2C13H27 |
AB2C13D27 |
-141.25 |
3.15 |
-9.59 |
0.88 |
0 |
|
|
216117 |
85085754 |
1 |
O2F4C9H14 |
A2B4C9D14 |
-296.49 |
4.19 |
-10.2 |
0.03 |
0 |
|
|
216118 |
85085755 |
1 |
N2O5C9H16 |
A2B5C9D16 |
-243.11 |
6.99 |
-10.15 |
0.2 |
0 |
|
|
216119 |
85085756 |
1 |
N2O3H10C12 |
A2B3C10D12 |
19.42 |
3.48 |
-8.96 |
-1.5 |
0 |
|
|
216120 |
85085757 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-24.28 |
5.51 |
-9.2 |
-0.27 |
0 |
|
|
216121 |
85085758 |
1 |
ON4C12H18 |
AB4C12D18 |
58.19 |
2.22 |
-8.87 |
-0.51 |
0 |