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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
6710 |
69651 |
2 |
O2C5H9 |
A2B5C9 |
-211.07 |
3.1 |
-10.29 |
0.19 |
0 |
|
|
6711 |
69653 |
1 |
NOC5H9 |
ABC5D9 |
-39.36 |
3.78 |
-9.87 |
0.73 |
0 |
|
|
6712 |
69659 |
1 |
NO2C7H15 |
AB2C7D15 |
-44.65 |
4.53 |
-11.04 |
-0.42 |
0 |
|
|
6713 |
69660 |
2 |
O2C6H11 |
A2B6C11 |
-221.86 |
5.17 |
-10.88 |
0.64 |
0 |
|
|
6714 |
69663 |
1 |
NOC4H5 |
ABC4D5 |
-11.32 |
1.48 |
-9.81 |
0.1 |
0 |
|
|
6715 |
69665 |
1 |
PO2C4H7 |
AB2C4D7 |
-119.94 |
4.13 |
-10.44 |
0.27 |
0 |
|
|
6716 |
69667 |
8 |
CH |
AB |
43.44 |
0.66 |
-9.19 |
0.48 |
0 |
|
|
6717 |
69668 |
1 |
O2C7H10 |
A2B7C10 |
-73.3 |
1.04 |
-9.84 |
0.71 |
0 |
|
|
6718 |
69675 |
1 |
NC8H11 |
AB8C11 |
11.82 |
1.7 |
-8.2 |
0.65 |
0 |
|
|
6719 |
69679 |
1 |
ClN2F3C4 |
AB2C3D4 |
-88.86 |
1.8 |
-10.73 |
-1.88 |
0 |
|
|
6720 |
69692 |
1 |
O3C8H8 |
A3B8C8 |
-89.01 |
4.86 |
-9.3 |
-0.46 |
0 |
|
|
6721 |
69693 |
1 |
Cl3H5C8 |
A3B5C8 |
17.64 |
1.79 |
-9.66 |
-0.46 |
0 |
|
|
6722 |
69696 |
1 |
BrNSO2C6H6 |
ABCD2E6F6 |
-47.16 |
3.49 |
-10.3 |
-1.02 |
0 |
|
|
6723 |
69705 |
1 |
O2C9H12 |
A2B9C12 |
-71.59 |
3.37 |
-8.8 |
0.09 |
0 |
|
|
6724 |
69715 |
3 |
NOC2H3 |
ABC2D3 |
-22.27 |
8.41 |
-10.15 |
-0.89 |
0 |
|
|
6725 |
69716 |
1 |
ClF3H6C8 |
AB3C6D8 |
-153.18 |
3.51 |
-10.26 |
-0.81 |
0 |
|
|
6726 |
69722 |
1 |
OPC11H13 |
ABC11D13 |
-48.21 |
5.88 |
-9.74 |
0.04 |
0 |
|
|
6727 |
69734 |
2 |
OC6H6 |
AB6C6 |
-46.98 |
1.06 |
-8.58 |
-0.37 |
0 |
|
|
6728 |
69736 |
1 |
O2N5C7H7 |
A2B5C7D7 |
-10.37 |
5.85 |
-9.92 |
-1.38 |
0 |
|
|
6729 |
69746 |
1 |
O3C12H16 |
A3B12C16 |
-130.88 |
1.47 |
-8.71 |
0.0 |
0 |
|
|
6730 |
69755 |
1 |
FNSCl2O2H4C9 |
ABCD2E2F4G9 |
-89.91 |
5.85 |
-9.68 |
-1.72 |
0 |
|
|
6731 |
69759 |
1 |
NOC14H21 |
ABC14D21 |
-44.4 |
1.81 |
-7.75 |
0.36 |
0 |
|
|
6732 |
69760 |
1 |
SN2O2F3H7C9 |
AB2C2D3E7F9 |
-202.3 |
6.6 |
-9.9 |
-1.4 |
0 |
|
|
6733 |
69761 |
1 |
O3H12C14 |
A3B12C14 |
-80.23 |
2.58 |
-8.96 |
-0.94 |
0 |
|
|
6734 |
69763 |
1 |
N2H14C15 |
A2B14C15 |
73.83 |
2.84 |
-8.53 |
-0.42 |
0 |
|
|
6735 |
69765 |
1 |
NO3C14H21 |
AB3C14D21 |
-75.54 |
6.69 |
-9.54 |
-1.05 |
0 |
|
|
6736 |
69767 |
1 |
OF3H9C14 |
AB3C9D14 |
-143.46 |
3.89 |
-10.21 |
-1.22 |
0 |
|
|
6737 |
69770 |
2 |
ON2H5C6 |
AB2C5D6 |
87.24 |
7.53 |
-8.7 |
-1.45 |
0 |
|
|
6738 |
69774 |
4 |
OH3C4 |
AB3C4 |
-113.33 |
4.4 |
-9.34 |
-1.69 |
0 |
|
|
6739 |
69776 |
2 |
NO2H6C7 |
AB2C6D7 |
24.19 |
0.09 |
-10.57 |
-1.58 |
0 |
|
|
6740 |
69779 |
2 |
O2H7C10 |
A2B7C10 |
-76.71 |
2.19 |
-9.47 |
-1.27 |
0 |
|
|
6741 |
69784 |
1 |
NO3C45H69 |
AB3C45D69 |
-199.89 |
2.8 |
-8.38 |
0.41 |
0 |
|
|
6742 |
69785 |
1 |
NSH2O2C8F17 |
ABC2D2E8F17 |
-906.46 |
4.16 |
-11.6 |
-1.13 |
0 |
|
|
6743 |
69786 |
6 |
CF2 |
AB2 |
-572.5 |
1.31 |
-11.67 |
-1.13 |
0 |
|
|
6744 |
69787 |
1 |
O3F4C5H6 |
A3B4C5D6 |
-330.95 |
3.15 |
-11.61 |
-0.28 |
0 |
|
|
6745 |
69788 |
2 |
IC2F2H2 |
AB2C2D2 |
-182.05 |
0.33 |
-10.18 |
-2.3 |
0 |
|
|
6746 |
69795 |
1 |
SiC4H12 |
AB4C12 |
-41.57 |
0.48 |
-9.69 |
1.34 |
0 |
|
|
6747 |
69831 |
1 |
BrSC5H5 |
ABC5D5 |
26.8 |
2.08 |
-9.3 |
-0.31 |
0 |
|
|
6748 |
69841 |
1 |
O3C6H10 |
A3B6C10 |
-135.12 |
4.98 |
-10.19 |
0.54 |
0 |
|
|
6749 |
69846 |
1 |
BrH3N4C5 |
AB3C4D5 |
91.12 |
6.93 |
-9.94 |
-1.68 |
0 |
|
|
6750 |
69852 |
2 |
OC4H8 |
AB4C8 |
-118.08 |
2.66 |
-9.84 |
1.94 |
0 |
|
|
6751 |
69855 |
1 |
ClN2O2H5C6 |
AB2C2D5E6 |
3.52 |
4.05 |
-9.31 |
-1.37 |
0 |
|
|
6752 |
69858 |
1 |
OH2F4C6 |
AB2C4D6 |
-196.17 |
1.28 |
-10.07 |
-1.0 |
0 |
|
|
6753 |
69861 |
1 |
NC10H15 |
AB10C15 |
-2.15 |
1.52 |
-8.25 |
0.53 |
0 |
|
|
6754 |
69865 |
1 |
NO3H7C8 |
AB3C7D8 |
-53.62 |
2.25 |
-8.97 |
-0.6 |
0 |
|
|
6755 |
69866 |
2 |
OC5H6 |
AB5C6 |
-10.41 |
2.25 |
-9.33 |
-0.05 |
0 |
|
|
6756 |
69872 |
2 |
NC5H5 |
AB5C5 |
40.35 |
3.51 |
-8.11 |
-0.29 |
0 |
|
|
6757 |
69876 |
1 |
FOH9C10 |
ABC9D10 |
-42.83 |
2.63 |
-10.12 |
-0.72 |
0 |
|
|
6758 |
69878 |
1 |
SiCl2C9H12 |
AB2C9D12 |
-82.6 |
2.09 |
-9.29 |
-0.09 |
0 |
|
|
6759 |
69879 |
1 |
PO2Cl3H4C6 |
AB2C3D4E6 |
-143.82 |
1.77 |
-9.7 |
-1.11 |
0 |
|
|
6760 |
69893 |
1 |
SiC13H14 |
AB13C14 |
25.29 |
0.5 |
-9.3 |
0.04 |
0 |
|
|
6761 |
69894 |
2 |
O2H4C5 |
A2B4C5 |
-121.76 |
4.02 |
-8.88 |
-1.2 |
0 |
|
|
6762 |
69895 |
2 |
OC6H8 |
AB6C8 |
-79.52 |
2.68 |
-9.67 |
0.14 |
0 |
|
|
6763 |
69897 |
1 |
N2O5C7H8 |
A2B5C7D8 |
-199.28 |
5.72 |
-10.48 |
-1.65 |
0 |
|
|
6764 |
69898 |
1 |
NPCl2H4O4C6 |
ABC2D4E4F6 |
-139.13 |
4.96 |
-10.58 |
-1.68 |
0 |
|
|
6765 |
69899 |
1 |
FO2N3C8H8 |
AB2C3D8E8 |
-53.65 |
0.95 |
-9.31 |
-0.98 |
0 |
|
|
6766 |
69901 |
1 |
Cl3O3H7C9 |
A3B3C7D9 |
-131.15 |
5.08 |
-10.07 |
-1.27 |
0 |
|
|
6767 |
69903 |
1 |
NO3C11H13 |
AB3C11D13 |
-116.38 |
4.37 |
-10.21 |
-1.13 |
0 |
|
|
6768 |
69904 |
3 |
OC4H4 |
AB4C4 |
-102.24 |
0.26 |
-10.56 |
-1.15 |
0 |
|
|
6769 |
69906 |
2 |
H7C8 |
A7B8 |
25.13 |
0.0 |
-8.44 |
-0.08 |
0 |
|
|
6770 |
69911 |
1 |
OH12C16 |
AB12C16 |
19.82 |
3.41 |
-8.6 |
-1.24 |
0 |
|
|
6771 |
69912 |
1 |
ClFNOH9C13 |
ABCDE9F13 |
-44.85 |
1.08 |
-8.67 |
-0.77 |
0 |
|
|
6772 |
69917 |
1 |
ON3C13H13 |
AB3C13D13 |
3.15 |
4.3 |
-7.96 |
-0.21 |
0 |
|
|
6773 |
69918 |
1 |
OC16H16 |
AB16C16 |
-6.42 |
3.66 |
-9.46 |
-0.51 |
0 |
|
|
6774 |
69951 |
1 |
O2C7H14 |
A2B7C14 |
-116.67 |
1.84 |
-10.67 |
0.93 |
0 |
|
|
6775 |
69960 |
1 |
ClSC3O3H7 |
ABC3D3E7 |
-137.99 |
3.74 |
-11.77 |
-1.8 |
0 |
|
|
6776 |
69979 |
1 |
Br2H6C7 |
A2B6C7 |
21.09 |
2.11 |
-9.72 |
-0.86 |
0 |
|
|
6777 |
69984 |
1 |
NNaO2H4C6 |
ABC2D4E6 |
-42.65 |
4.54 |
-8.38 |
-0.43 |
0 |
|
|
6778 |
69986 |
1 |
NO3H5C6 |
AB3C5D6 |
-60.55 |
6.74 |
-10.21 |
-1.64 |
0 |
|
|
6779 |
69987 |
1 |
ClC9H11 |
AB9C11 |
-9.65 |
2.12 |
-9.06 |
-0.03 |
0 |
|
|
6780 |
69988 |
1 |
O3C7H8 |
A3B7C8 |
-102.8 |
1.93 |
-8.44 |
-0.07 |
0 |
|
|
6781 |
69989 |
1 |
ClC9H11 |
AB9C11 |
-10.38 |
2.45 |
-9.15 |
0.04 |
0 |
|
|
6782 |
69993 |
1 |
ClOC8H9 |
ABC8D9 |
-31.61 |
2.97 |
-8.92 |
-0.05 |
0 |
|
|
6783 |
69995 |
1 |
OC10H14 |
AB10C14 |
-53.54 |
3.39 |
-9.58 |
0.2 |
0 |
|
|
6784 |
69999 |
1 |
SH8C10 |
AB8C10 |
51.49 |
0.49 |
-9.04 |
-0.47 |
0 |
|
|
6785 |
70000 |
1 |
C11H12 |
A11B12 |
50.42 |
0.34 |
-9.47 |
0.35 |
0 |
|
|
6786 |
70001 |
1 |
NaSO4H5C6 |
ABC4D5E6 |
-184.83 |
6.77 |
-9.31 |
0.06 |
0 |
|
|
6787 |
70003 |
1 |
OC11H12 |
AB11C12 |
-27.51 |
3.57 |
-9.57 |
-0.11 |
0 |
|
|
6788 |
70004 |
2 |
H5C6 |
A5B6 |
54.8 |
0.18 |
-8.75 |
-0.45 |
0 |
|
|
6789 |
70006 |
3 |
NC3H3 |
AB3C3 |
73.69 |
3.54 |
-8.87 |
-0.31 |
0 |
|
|
6790 |
70017 |
1 |
PH11C12 |
AB11C12 |
46.89 |
1.58 |
-8.86 |
0.17 |
0 |
|
|
6791 |
70019 |
2 |
O2C5H6 |
A2B5C6 |
-130.25 |
6.62 |
-9.28 |
-0.09 |
0 |
|
|
6792 |
70021 |
1 |
SN2O2C9H10 |
AB2C2D9E10 |
21.25 |
4.11 |
-9.18 |
-1.56 |
0 |
|
|
6793 |
70022 |
1 |
N2O5H6C7 |
A2B5C6D7 |
-91.92 |
4.37 |
-10.65 |
-2.7 |
0 |
|
|
6794 |
70023 |
1 |
NOF4H7C8 |
ABC4D7E8 |
-227.59 |
3.31 |
-8.86 |
0.08 |
0 |
|
|
6795 |
70028 |
1 |
N2H8C13 |
A2B8C13 |
114.45 |
0.77 |
-8.59 |
-0.71 |
0 |
|
|
6796 |
70032 |
1 |
O3C12H14 |
A3B12C14 |
-124.44 |
9.04 |
-10.09 |
-1.0 |
0 |
|
|
6797 |
70033 |
1 |
ClNOC13H18 |
ABCD13E18 |
-53.38 |
3.3 |
-8.79 |
-0.5 |
0 |
|
|
6798 |
70043 |
2 |
OC7H7 |
AB7C7 |
-37.94 |
3.32 |
-8.94 |
0.05 |
0 |
|
|
6799 |
70044 |
1 |
O2C15H16 |
A2B15C16 |
-53.87 |
2.46 |
-8.78 |
0.15 |
0 |
|
|
6800 |
70045 |
1 |
N3O4C10H13 |
A3B4C10D13 |
4.35 |
7.46 |
-9.74 |
-1.72 |
0 |
|
|
6801 |
70048 |
1 |
N2C17H20 |
A2B17C20 |
58.5 |
0.47 |
-8.79 |
0.22 |
0 |
|
|
6802 |
70057 |
1 |
NSH11C19 |
ABC11D19 |
114.46 |
1.92 |
-8.57 |
-1.54 |
0 |
|
|
6803 |
70124 |
1 |
O3C7H8 |
A3B7C8 |
-112.02 |
3.88 |
-10.6 |
-0.84 |
0 |
|
|
6804 |
70129 |
1 |
NOH7C8 |
ABC7D8 |
13.41 |
5.41 |
-9.37 |
-0.51 |
0 |
|
|
6805 |
70136 |
1 |
OCl2H6C8 |
AB2C6D8 |
-35.55 |
4.18 |
-10.49 |
-1.45 |
0 |
|
|
6806 |
70137 |
1 |
BrNOH6C9 |
ABCD6E9 |
12.87 |
4.55 |
-9.28 |
-0.87 |
0 |
|
|
6807 |
70138 |
1 |
OC11H16 |
AB11C16 |
-3.93 |
1.88 |
-9.42 |
0.93 |
0 |
|
|
6808 |
70139 |
2 |
Cl2H3C4 |
A2B3C4 |
-25.21 |
1.79 |
-9.5 |
-0.82 |
0 |
|
|
6809 |
70141 |
2 |
OC5H6 |
AB5C6 |
-82.31 |
1.85 |
-8.9 |
0.15 |
0 |