List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
3722 |
10068 |
2 |
O3C12H16 |
A3B12C16 |
-266.27 |
3.56 |
-9.74 |
-0.96 |
0 |
|
|
3723 |
10070 |
2 |
O4C15H23 |
A4B15C23 |
-388.45 |
5.69 |
-9.96 |
-0.56 |
0 |
|
|
3724 |
10072 |
1 |
NOC21H27 |
ABC21D27 |
-0.4 |
3.58 |
-8.79 |
0.1 |
0 |
|
|
3725 |
10073 |
2 |
NOC11H15 |
ABC11D15 |
-78.98 |
3.13 |
-8.33 |
0.04 |
0 |
|
|
3726 |
10074 |
1 |
NO3C16H19 |
AB3C16D19 |
-83.91 |
3.42 |
-9.02 |
-0.12 |
0 |
|
|
3727 |
10076 |
1 |
NO3C16H17 |
AB3C16D17 |
-59.81 |
3.15 |
-8.63 |
0.01 |
0 |
|
|
3728 |
10077 |
1 |
NO3C17H19 |
AB3C17D19 |
-93.33 |
5.29 |
-8.57 |
-0.04 |
0 |
|
|
3729 |
10078 |
1 |
NO3C17H19 |
AB3C17D19 |
-67.67 |
1.66 |
-8.38 |
0.09 |
0 |
|
|
3731 |
10081 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-39.57 |
4.36 |
-9.97 |
-1.0 |
0 |
|
|
3732 |
10082 |
2 |
NOSC6H10 |
ABCD6E10 |
-84.34 |
4.21 |
-8.69 |
-1.12 |
0 |
|
|
3733 |
10083 |
1 |
NOC18H21 |
ABC18D21 |
-5.27 |
2.76 |
-9.2 |
0.18 |
0 |
|
|
3734 |
10086 |
1 |
NO3C20H29 |
AB3C20D29 |
-135.81 |
1.51 |
-8.83 |
0.1 |
0 |
|
|
3735 |
10088 |
1 |
O5C35H52 |
A5B35C52 |
-282.03 |
4.01 |
-9.35 |
0.03 |
0 |
|
|
3736 |
10089 |
1 |
NO2C23H29 |
AB2C23D29 |
-40.73 |
4.52 |
-8.71 |
-0.04 |
0 |
|
|
3737 |
10090 |
1 |
NOC20H25 |
ABC20D25 |
0.85 |
3.78 |
-8.61 |
0.01 |
0 |
|
|
3738 |
10091 |
1 |
O9C31H46 |
A9B31C46 |
-418.67 |
6.65 |
-9.56 |
-0.82 |
0 |
|
|
3739 |
10092 |
1 |
O6C23H32 |
A6B23C32 |
-275.69 |
4.55 |
-9.96 |
-0.83 |
0 |
|
|
3740 |
10094 |
1 |
O5C23H34 |
A5B23C34 |
-249.73 |
4.01 |
-10.12 |
-0.51 |
0 |
|
|
3741 |
10096 |
1 |
NO4C24H39 |
AB4C24D39 |
-217.14 |
3.06 |
-8.73 |
-0.09 |
0 |
|
|
3742 |
10097 |
1 |
ClO6C17H17 |
AB6C17D17 |
-205.84 |
4.14 |
-8.86 |
-0.52 |
0 |
|
|
3743 |
10099 |
3 |
C5H8 |
A5B8 |
-33.75 |
0.3 |
-8.92 |
1.64 |
0 |
|
|
3744 |
10100 |
1 |
NO2C22H29 |
AB2C22D29 |
-61.67 |
2.47 |
-8.61 |
0.2 |
0 |
|
|
3745 |
10101 |
1 |
NO2C15H21 |
AB2C15D21 |
-76.73 |
3.28 |
-8.76 |
-0.11 |
0 |
|
|
3746 |
10105 |
1 |
O3C10H20 |
A3B10C20 |
-166.69 |
1.59 |
-9.66 |
1.55 |
0 |
|
|
3747 |
10106 |
1 |
OC10H18 |
AB10C18 |
-72.14 |
1.52 |
-9.68 |
2.73 |
0 |
|
|
3748 |
10107 |
1 |
PCl3O4C12H14 |
AB3C4D12E14 |
-241.81 |
1.92 |
-9.63 |
-0.82 |
0 |
|
|
3749 |
10108 |
1 |
OC9H14 |
AB9C14 |
-59.65 |
3.4 |
-9.66 |
0.75 |
0 |
|
|
3750 |
10110 |
1 |
H2O2C3 |
A2B2C3 |
-23.23 |
4.97 |
-11.55 |
-0.54 |
0 |
|
|
3751 |
10111 |
1 |
C2N3H7 |
A2B3C7 |
13.62 |
2.07 |
-9.36 |
1.2 |
0 |
|
|
3752 |
10112 |
1 |
CCaO3 |
ABC3 |
-140.52 |
12.32 |
-9.71 |
-1.99 |
0 |
|
|
3753 |
10113 |
2 |
CNOH2 |
ABCD2 |
-82.45 |
0.01 |
-10.45 |
-0.36 |
0 |
|
|
3754 |
10114 |
2 |
O2C15H23 |
A2B15C23 |
-242.73 |
4.1 |
-9.59 |
-0.01 |
0 |
|
|
3755 |
10115 |
2 |
C15H26 |
A15B26 |
-96.31 |
0.25 |
-9.51 |
3.7 |
0 |
|
|
3756 |
10116 |
2 |
OC10H15 |
AB10C15 |
-111.6 |
5.2 |
-9.44 |
0.76 |
0 |
|
|
3757 |
10117 |
2 |
OC10H15 |
AB10C15 |
-122.09 |
5.0 |
-8.28 |
0.73 |
0 |
|
|
3758 |
10121 |
8 |
C5H7 |
A5B7 |
48.02 |
1.44 |
-7.9 |
0.03 |
0 |
|
|
3759 |
10123 |
3 |
C5H8 |
A5B8 |
-23.36 |
0.73 |
-9.01 |
1.4 |
0 |
|
|
3760 |
10129 |
2 |
C5H9 |
A5B9 |
-18.62 |
0.28 |
-10.01 |
3.79 |
0 |
|
|
3761 |
10130 |
1 |
O3C10H16 |
A3B10C16 |
-148.92 |
5.25 |
-10.13 |
0.55 |
0 |
|
|
3762 |
10132 |
1 |
H2C3O5 |
A2B3C5 |
-173.84 |
4.32 |
-11.04 |
-2.56 |
0 |
|
|
3763 |
10133 |
4 |
OC6H10 |
AB6C10 |
-248.14 |
5.41 |
-10.06 |
0.62 |
0 |
|
|
3764 |
10136 |
1 |
NO7C33H49 |
AB7C33D49 |
-335.5 |
6.06 |
-8.59 |
0.84 |
0 |
|
|
3765 |
10137 |
3 |
C5H8 |
A5B8 |
26.06 |
0.94 |
-9.6 |
1.52 |
0 |
|
|
3766 |
10139 |
1 |
F2Cl3H9C14 |
A2B3C9D14 |
-73.42 |
1.33 |
-9.82 |
-0.68 |
0 |
|
|
3767 |
10141 |
2 |
O2H3C5 |
A2B3C5 |
-107.4 |
2.32 |
-9.19 |
-2.01 |
0 |
|
|
3768 |
10143 |
1 |
NO4C20H23 |
AB4C20D23 |
-111.05 |
5.3 |
-8.07 |
-0.31 |
0 |
|
|
3769 |
10145 |
1 |
NO4C21H25 |
AB4C21D25 |
-108.24 |
2.78 |
-7.94 |
-0.2 |
0 |
|
|
3770 |
10147 |
1 |
NO5H19C20 |
AB5C19D20 |
-133.51 |
1.67 |
-8.63 |
-0.2 |
0 |
|
|
3771 |
10150 |
1 |
O6H10C15 |
A6B10C15 |
-205.83 |
2.7 |
-9.04 |
-1.9 |
0 |
|
|
3772 |
10153 |
1 |
NO4C20H23 |
AB4C20D23 |
-107.25 |
0.18 |
-8.02 |
-0.11 |
0 |
|
|
3773 |
10154 |
1 |
NO4C19H21 |
AB4C19D21 |
-116.58 |
2.79 |
-8.03 |
-0.32 |
0 |
|
|
3774 |
10156 |
1 |
NO6C21H23 |
AB6C21D23 |
-177.63 |
8.27 |
-8.78 |
-0.45 |
0 |
|
|
3775 |
10157 |
1 |
O7C21H24 |
A7B21C24 |
-291.65 |
5.88 |
-9.25 |
-1.1 |
0 |
|
|
3776 |
10165 |
1 |
NO5C21H25 |
AB5C21D25 |
-154.9 |
2.37 |
-8.19 |
0.26 |
0 |
|
|
3777 |
10166 |
4 |
OC4H4 |
AB4C4 |
-120.08 |
3.75 |
-9.42 |
-1.65 |
0 |
|
|
3778 |
10167 |
1 |
O5H10C13 |
A5B10C13 |
-130.07 |
4.74 |
-8.37 |
-0.69 |
0 |
|
|
3779 |
10168 |
1 |
O6H8C15 |
A6B8C15 |
-180.47 |
2.89 |
-9.74 |
-2.31 |
0 |
|
|
3780 |
10169 |
1 |
O7H8C15 |
A7B8C15 |
-228.75 |
4.67 |
-9.87 |
-2.24 |
0 |
|
|
3781 |
10172 |
1 |
NO2C15H15 |
AB2C15D15 |
-50.02 |
7.19 |
-8.29 |
-0.22 |
0 |
|
|
3782 |
10174 |
1 |
O5H8C15 |
A5B8C15 |
-109.84 |
6.87 |
-8.75 |
-1.59 |
0 |
|
|
3783 |
10175 |
2 |
O2H6C7 |
A2B6C7 |
-124.35 |
4.08 |
-9.51 |
-0.57 |
0 |
|
|
3784 |
10183 |
2 |
O4H6C7 |
A4B6C7 |
-303.85 |
5.52 |
-9.19 |
-1.74 |
0 |
|
|
3785 |
10196 |
1 |
NO5C18H23 |
AB5C18D23 |
-177.78 |
5.46 |
-8.95 |
0.23 |
0 |
|
|
3786 |
10197 |
1 |
NO5C15H25 |
AB5C15D25 |
-235.1 |
3.87 |
-9.25 |
0.09 |
0 |
|
|
3787 |
10198 |
1 |
NO2C8H13 |
AB2C8D13 |
-77.59 |
1.98 |
-9.05 |
0.66 |
0 |
|
|
3788 |
10200 |
1 |
NSH7C8 |
ABC7D8 |
42.0 |
2.41 |
-8.1 |
-0.2 |
0 |
|
|
3789 |
10202 |
3 |
C9H16 |
A9B16 |
-95.85 |
0.17 |
-9.88 |
3.77 |
0 |
|
|
3790 |
10203 |
1 |
O2C19H30 |
A2B19C30 |
-142.76 |
2.35 |
-9.7 |
0.74 |
0 |
|
|
3791 |
10205 |
1 |
O3H8C11 |
A3B8C11 |
-70.17 |
2.52 |
-9.63 |
-1.7 |
0 |
|
|
3792 |
10207 |
5 |
OH2C3 |
AB2C3 |
-150.23 |
2.23 |
-9.45 |
-1.86 |
0 |
|
|
3793 |
10210 |
2 |
O2H5C7 |
A2B5C7 |
-124.44 |
4.54 |
-10.0 |
-0.78 |
0 |
|
|
3794 |
10212 |
2 |
O2H7C8 |
A2B7C8 |
-86.64 |
5.93 |
-8.57 |
-1.16 |
0 |
|
|
3795 |
10214 |
1 |
SP2N5C10O13H15 |
AB2C5D10E13F15 |
-622.93 |
8.97 |
-9.55 |
-1.61 |
0 |
|
|
3796 |
10218 |
2 |
NO2C14H19 |
AB2C14D19 |
-142.3 |
4.8 |
-8.4 |
0.06 |
0 |
|
|
3797 |
10219 |
1 |
N2O4C29H40 |
A2B4C29D40 |
-132.17 |
1.86 |
-7.88 |
0.08 |
0 |