List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4721 |
11921 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
5.46 |
4.53 |
-10.45 |
-1.54 |
0 |
|
|
4722 |
11922 |
1 |
N2O2H4C7 |
A2B2C4D7 |
56.71 |
6.99 |
-10.96 |
-1.88 |
0 |
|
|
4723 |
11925 |
1 |
ClNC10H10 |
ABC10D10 |
35.95 |
7.68 |
-7.55 |
0.23 |
0 |
|
|
4724 |
11926 |
1 |
NH9C10 |
AB9C10 |
41.04 |
2.47 |
-9.21 |
-0.6 |
0 |
|
|
4725 |
11927 |
1 |
NH9C10 |
AB9C10 |
40.4 |
2.33 |
-9.21 |
-0.6 |
0 |
|
|
4726 |
11928 |
1 |
ClNH6C9 |
ABC6D9 |
43.22 |
3.59 |
-9.5 |
-1.0 |
0 |
|
|
4727 |
11929 |
1 |
ON2C8H10 |
AB2C8D10 |
28.52 |
3.42 |
-9.07 |
-0.49 |
0 |
|
|
4728 |
11930 |
6 |
H3C4 |
A3B4 |
94.08 |
0.01 |
-8.98 |
-0.34 |
0 |
|
|
4729 |
11931 |
14 |
CH |
AB |
26.95 |
1.06 |
-8.96 |
0.05 |
0 |
|
|
4730 |
11934 |
4 |
H3C4 |
A3B4 |
62.98 |
0.02 |
-8.8 |
-0.5 |
0 |
|
|
4731 |
11935 |
1 |
ON2H12C13 |
AB2C12D13 |
61.05 |
3.48 |
-9.19 |
-0.46 |
0 |
|
|
4732 |
11936 |
3 |
H4C5 |
A4B5 |
49.33 |
0.89 |
-8.26 |
-0.88 |
0 |
|
|
4733 |
11938 |
1 |
NH11C14 |
AB11C14 |
60.78 |
2.42 |
-8.71 |
-1.12 |
0 |
|
|
4734 |
11941 |
14 |
CH |
AB |
27.25 |
0.1 |
-8.7 |
0.15 |
0 |
|
|
4735 |
11943 |
1 |
OH12C13 |
AB12C13 |
6.18 |
1.72 |
-8.64 |
0.05 |
0 |
|
|
4736 |
11944 |
1 |
NH7C11 |
AB7C11 |
71.36 |
4.44 |
-9.38 |
-1.05 |
0 |
|
|
4737 |
11946 |
1 |
N2O2H6C9 |
A2B2C6D9 |
47.09 |
6.72 |
-10.13 |
-1.77 |
0 |
|
|
4738 |
11950 |
1 |
O2C9H10 |
A2B9C10 |
-52.7 |
5.43 |
-9.28 |
-0.53 |
0 |
|
|
4739 |
11951 |
2 |
NC5H5 |
AB5C5 |
33.4 |
2.48 |
-8.19 |
-0.16 |
0 |
|
|
4740 |
11953 |
1 |
NOH5C8 |
ABC5D8 |
31.8 |
4.64 |
-10.44 |
-1.42 |
0 |
|
|
4741 |
11954 |
1 |
NOC8H9 |
ABC8D9 |
-18.59 |
3.96 |
-9.79 |
-0.22 |
0 |
|
|
4742 |
11955 |
1 |
ON2C7H8 |
AB2C7D8 |
1.57 |
2.99 |
-10.04 |
-0.48 |
0 |
|
|
4743 |
11957 |
1 |
ON2C7H8 |
AB2C7D8 |
34.99 |
3.47 |
-9.1 |
-0.54 |
0 |
|
|
4744 |
11959 |
1 |
NOC9H11 |
ABC9D11 |
-26.21 |
3.96 |
-9.8 |
-0.23 |
0 |
|
|
4745 |
11961 |
1 |
O3C10H10 |
A3B10C10 |
-105.62 |
5.09 |
-10.22 |
-0.82 |
0 |
|
|
4746 |
11963 |
1 |
ClN2O2C14H23 |
AB2C2D14E23 |
-129.0 |
9.9 |
-9.16 |
-0.63 |
0 |
|
|
4747 |
11964 |
2 |
NOC7H11 |
ABC7D11 |
-84.34 |
2.75 |
-8.79 |
-0.19 |
0 |
|
|
4748 |
11965 |
1 |
FO2C9H9 |
AB2C9D9 |
-111.73 |
1.67 |
-10.12 |
-0.69 |
0 |
|
|
4749 |
11966 |
1 |
O3C11H14 |
A3B11C14 |
-55.03 |
3.11 |
-9.95 |
-0.63 |
0 |
|
|
4750 |
11967 |
1 |
FO2C10H11 |
AB2C10D11 |
-118.88 |
2.23 |
-10.13 |
-0.68 |
0 |
|
|
4751 |
11968 |
1 |
O3H8C9 |
A3B8C9 |
-91.09 |
7.42 |
-9.54 |
-0.96 |
0 |
|
|
4752 |
11969 |
1 |
ClO3H7C8 |
AB3C7D8 |
-105.32 |
5.62 |
-9.58 |
-0.63 |
0 |
|
|
4753 |
11970 |
1 |
O3C8H8 |
A3B8C8 |
-113.83 |
6.07 |
-9.63 |
-0.45 |
0 |
|
|
4754 |
11971 |
1 |
SN2C8H10 |
AB2C8D10 |
31.71 |
2.51 |
-8.88 |
-0.39 |
0 |
|
|
4755 |
11972 |
1 |
NO2C8H9 |
AB2C8D9 |
-71.02 |
3.74 |
-8.63 |
-0.02 |
0 |
|
|
4756 |
11974 |
1 |
Br2O2N4C17H18 |
A2B2C4D17E18 |
9.56 |
4.16 |
-9.32 |
-0.64 |
0 |
|
|
4757 |
11975 |
1 |
OCl2N2C7H12 |
AB2C2D7E12 |
-92.09 |
5.27 |
-8.24 |
-0.07 |
0 |
|
|
4758 |
11976 |
1 |
ON2C7H10 |
AB2C7D10 |
-19.29 |
1.6 |
-8.12 |
0.42 |
0 |
|
|
4759 |
11977 |
1 |
N2O3C5H10 |
A2B3C5D10 |
-88.73 |
1.95 |
-9.98 |
-0.64 |
0 |
|
|
4760 |
11979 |
2 |
NC4H4 |
AB4C4 |
40.88 |
3.76 |
-8.9 |
-0.13 |
0 |
|
|
4761 |
11981 |
1 |
NO2C7H7 |
AB2C7D7 |
-10.75 |
3.09 |
-9.05 |
-1.14 |
0 |
|
|
4762 |
11982 |
1 |
O3C8H10 |
A3B8C10 |
-99.59 |
1.82 |
-9.98 |
-0.58 |
0 |
|
|
4763 |
11984 |
2 |
NC4H4 |
AB4C4 |
39.79 |
3.71 |
-8.93 |
-0.09 |
0 |
|
|
4764 |
11985 |
1 |
ON2H6C7 |
AB2C6D7 |
-11.82 |
3.35 |
-8.86 |
-0.33 |
0 |
|
|
4765 |
11988 |
1 |
SN3C7H7 |
AB3C7D7 |
69.36 |
1.71 |
-8.83 |
-0.7 |
0 |
|
|
4766 |
11989 |
1 |
NS2H7C8 |
AB2C7D8 |
52.05 |
0.65 |
-8.73 |
-0.76 |
0 |
|
|
4767 |
11990 |
2 |
ClNC3H5 |
ABC3D5 |
-45.05 |
1.93 |
-8.94 |
-0.42 |
0 |
|
|
4768 |
11991 |
1 |
OC7H16 |
AB7C16 |
-84.4 |
1.93 |
-10.12 |
3.04 |
0 |
|
|
4769 |
11993 |
1 |
ClIH4C6 |
ABC4D6 |
34.14 |
2.3 |
-9.53 |
-1.11 |
0 |
|
|
4770 |
11994 |
2 |
IH2C3 |
AB2C3 |
58.29 |
2.16 |
-9.37 |
-1.29 |
0 |
|
|
4772 |
12002 |
3 |
BrHC2 |
ABC2 |
33.24 |
1.18 |
-9.83 |
-0.92 |
0 |
|
|
4773 |
12003 |
1 |
OBr2H4C6 |
AB2C4D6 |
-14.7 |
1.92 |
-9.41 |
-0.65 |
0 |
|
|
4774 |
12004 |
1 |
NBr2H5C6 |
AB2C5D6 |
21.95 |
3.19 |
-8.76 |
-0.35 |
0 |
|
|
4775 |
12010 |
2 |
OSC3H5 |
ABC3D5 |
-54.08 |
4.82 |
-9.02 |
-1.39 |
0 |
|
|
4776 |
12014 |
6 |
CH2 |
AB2 |
-16.12 |
0.44 |
-9.11 |
1.6 |
0 |
|
|
4777 |
12015 |
1 |
ClC5H11 |
AB5C11 |
-38.92 |
2.1 |
-10.45 |
1.06 |
0 |
|
|
4778 |
12017 |
2 |
ClC2H4 |
AB2C4 |
-44.04 |
0.74 |
-10.83 |
0.04 |
0 |
|
|
4779 |
12018 |
1 |
OCl2C3H6 |
AB2C3D6 |
-78.47 |
1.43 |
-10.87 |
-0.2 |
0 |
|
|
4780 |
12019 |
1 |
NC5H13 |
AB5C13 |
-26.42 |
1.86 |
-9.23 |
3.64 |
0 |
|
|
4781 |
12020 |
1 |
OC5H10 |
AB5C10 |
-46.66 |
1.97 |
-10.4 |
0.9 |
0 |
|
|
4782 |
12021 |
3 |
COH2 |
ABC2 |
-128.91 |
0.16 |
-11.41 |
0.04 |
0 |
|
|
4783 |
12022 |
1 |
NC5H13 |
AB5C13 |
-13.84 |
1.39 |
-8.55 |
2.92 |
0 |
|
|
4784 |
12023 |
1 |
NC5H7 |
AB5C7 |
16.51 |
1.62 |
-8.65 |
1.24 |
0 |
|
|
4785 |
12024 |
1 |
SC5H6 |
AB5C6 |
20.5 |
1.25 |
-8.78 |
0.02 |
0 |
|
|
4786 |
12027 |
2 |
O2C3H5 |
A2B3C5 |
-195.42 |
4.79 |
-11.26 |
-0.43 |
0 |
|
|
4787 |
12029 |
2 |
NO2C4H4 |
AB2C4D4 |
-5.81 |
6.49 |
-10.99 |
-1.75 |
0 |
|
|
4788 |
12030 |
1 |
N2O5H6C7 |
A2B5C6D7 |
-37.81 |
7.41 |
-10.8 |
-1.75 |
0 |
|
|
4789 |
12031 |
2 |
O2C5H5 |
A2B5C5 |
-153.78 |
5.59 |
-10.28 |
-0.57 |
0 |
|
|
4790 |
12034 |
2 |
O2C4H7 |
A2B4C7 |
-203.51 |
3.6 |
-11.2 |
-0.4 |
0 |
|
|
4791 |
12045 |
1 |
O4C7H10 |
A4B7C10 |
-163.29 |
1.4 |
-10.95 |
-1.0 |
0 |
|
|
4792 |
12046 |
2 |
O2C3H5 |
A2B3C5 |
-194.32 |
6.02 |
-10.83 |
-0.14 |
0 |
|
|
4793 |
12047 |
1 |
ClN2O2C6H15 |
AB2C2D6E15 |
-136.49 |
5.52 |
-9.94 |
0.37 |
0 |
|
|
4794 |
12048 |
1 |
C7H16 |
A7B16 |
-39.11 |
0.05 |
-10.84 |
4.19 |
0 |
|
|
4795 |
12049 |
1 |
NC6H15 |
AB6C15 |
-29.96 |
2.07 |
-9.26 |
3.7 |
0 |
|
|
4796 |
12050 |
1 |
N2C5H10 |
A2B5C10 |
19.03 |
4.69 |
-9.65 |
1.25 |
0 |