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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27923 |
824166 |
1 |
ClO2N3C17H18 |
AB2C3D17E18 |
-5.54 |
4.06 |
-8.8 |
-1.0 |
0 |
|
|
27924 |
824167 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-56.77 |
0.34 |
-9.17 |
0.15 |
0 |
|
|
27925 |
824168 |
1 |
O3N4H14C17 |
A3B4C14D17 |
55.23 |
9.57 |
-8.51 |
-1.42 |
0 |
|
|
27926 |
824169 |
2 |
NOH10C11 |
ABC10D11 |
1.11 |
1.86 |
-9.49 |
-0.63 |
0 |
|
|
27927 |
824176 |
1 |
BrN3O3H10C14 |
AB3C3D10E14 |
45.99 |
4.43 |
-9.32 |
-1.6 |
0 |
|
|
27928 |
824182 |
1 |
SN2O3C15H18 |
AB2C3D15E18 |
-104.87 |
5.88 |
-9.09 |
-0.96 |
0 |
|
|
27929 |
824184 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-98.51 |
1.86 |
-8.47 |
0.08 |
0 |
|
|
27930 |
824187 |
1 |
N3O3C14H17 |
A3B3C14D17 |
-13.16 |
6.12 |
-9.35 |
-1.4 |
0 |
|
|
27931 |
824190 |
1 |
N3O3H15C16 |
A3B3C15D16 |
21.33 |
4.84 |
-9.4 |
-1.37 |
0 |
|
|
27932 |
824191 |
1 |
N3O3C12H13 |
A3B3C12D13 |
-1.26 |
5.87 |
-9.45 |
-1.4 |
0 |
|
|
27933 |
824192 |
1 |
N3O4H15C16 |
A3B4C15D16 |
-8.37 |
5.29 |
-8.89 |
-1.36 |
0 |
|
|
27934 |
824193 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-55.27 |
7.69 |
-8.49 |
-0.51 |
0 |
|
|
27935 |
824197 |
1 |
O3N5C15H17 |
A3B5C15D17 |
34.61 |
10.21 |
-9.32 |
-1.25 |
0 |
|
|
27936 |
824198 |
2 |
ON2C9H11 |
AB2C9D11 |
3.0 |
8.0 |
-8.49 |
-0.52 |
0 |
|
|
27937 |
824204 |
1 |
BrON2H15C17 |
ABC2D15E17 |
39.54 |
11.28 |
-8.45 |
-1.7 |
0 |
|
|
27938 |
824205 |
1 |
BrON2H15C17 |
ABC2D15E17 |
38.38 |
10.91 |
-8.43 |
-1.63 |
0 |
|
|
27939 |
824211 |
1 |
BrNOH12C14 |
ABCD12E14 |
19.18 |
1.75 |
-8.88 |
-0.68 |
0 |
|
|
27940 |
824213 |
1 |
BrNOH12C14 |
ABCD12E14 |
1.47 |
5.16 |
-8.84 |
-0.58 |
0 |
|
|
27941 |
824215 |
1 |
NO2C20H21 |
AB2C20D21 |
-17.93 |
3.03 |
-9.32 |
0.0 |
0 |
|
|
27942 |
824218 |
1 |
NO4H9C15 |
AB4C9D15 |
-5.89 |
2.42 |
-9.18 |
-2.05 |
0 |
|
|
27943 |
824228 |
2 |
NOC8H10 |
ABC8D10 |
-31.83 |
1.27 |
-9.42 |
0.22 |
0 |
|
|
27944 |
824235 |
1 |
N3O4H15C17 |
A3B4C15D17 |
16.8 |
1.31 |
-9.35 |
-0.99 |
0 |
|
|
27945 |
824240 |
1 |
SN2O3C14H16 |
AB2C3D14E16 |
-103.63 |
4.52 |
-8.82 |
-0.78 |
0 |
|
|
27946 |
824263 |
2 |
NOH7C9 |
ABC7D9 |
56.26 |
6.99 |
-8.82 |
-1.16 |
0 |
|
|
27947 |
824268 |
1 |
ClSN3O3C14H18 |
ABC3D3E14F18 |
-93.42 |
6.28 |
-9.43 |
-0.88 |
0 |
|
|
27948 |
824270 |
1 |
NO2Cl3H12C15 |
AB2C3D12E15 |
-55.14 |
1.78 |
-9.36 |
-1.0 |
0 |
|
|
27949 |
824274 |
1 |
NO6H11C13 |
AB6C11D13 |
-137.14 |
5.17 |
-10.93 |
-1.73 |
0 |
|
|
27950 |
824284 |
1 |
ClN3O4H8C14 |
AB3C4D8E14 |
19.21 |
1.4 |
-9.11 |
-2.14 |
0 |
|
|
27951 |
824295 |
1 |
SO2N3C13H13 |
AB2C3D13E13 |
-30.6 |
3.0 |
-9.28 |
-1.04 |
0 |
|
|
27952 |
824296 |
1 |
NO2H19C23 |
AB2C19D23 |
4.18 |
2.78 |
-8.38 |
-1.35 |
0 |
|
|
27953 |
824314 |
1 |
ON2Cl3C13H17 |
AB2C3D13E17 |
-65.94 |
4.17 |
-9.65 |
-0.45 |
0 |
|
|
27954 |
824323 |
1 |
ClNOC18H22 |
ABCD18E22 |
-35.92 |
1.65 |
-8.43 |
-0.44 |
0 |
|
|
27955 |
824325 |
1 |
NS2O3H13C14 |
AB2C3D13E14 |
-56.3 |
1.67 |
-9.18 |
-1.33 |
0 |
|
|
27956 |
824327 |
1 |
FNO2H18C20 |
ABC2D18E20 |
-53.8 |
2.51 |
-9.42 |
-1.34 |
0 |
|
|
27957 |
824333 |
1 |
BrOSN3C13H16 |
ABCD3E13F16 |
30.82 |
5.46 |
-8.75 |
-1.08 |
0 |
|
|
27958 |
824338 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-84.64 |
1.19 |
-9.12 |
-0.43 |
0 |
|
|
27959 |
824339 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-84.74 |
1.31 |
-9.11 |
-0.43 |
0 |
|
|
27960 |
824340 |
1 |
ON2H12C16 |
AB2C12D16 |
33.34 |
6.18 |
-9.41 |
-1.04 |
0 |
|
|
27961 |
824341 |
1 |
FN2O2C19H19 |
AB2C2D19E19 |
-93.81 |
7.14 |
-8.84 |
-0.19 |
0 |
|
|
27962 |
824342 |
1 |
FN2O2C19H19 |
AB2C2D19E19 |
-94.74 |
1.4 |
-9.02 |
-0.35 |
0 |
|
|
27963 |
824361 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-37.16 |
5.31 |
-8.64 |
-0.64 |
0 |
|
|
27964 |
824372 |
1 |
NCl3H12C14 |
AB3C12D14 |
14.9 |
2.35 |
-9.14 |
-0.92 |
0 |
|
|
27965 |
824373 |
1 |
NCl2C15H15 |
AB2C15D15 |
11.51 |
1.89 |
-9.03 |
-0.78 |
0 |
|
|
27966 |
824374 |
1 |
NCl2C15H15 |
AB2C15D15 |
10.33 |
1.32 |
-8.98 |
-0.73 |
0 |
|
|
27967 |
824468 |
1 |
OSCl2N2H12C15 |
ABC2D2E12F15 |
21.4 |
3.45 |
-9.04 |
-0.91 |
0 |
|
|
27968 |
824470 |
1 |
ClSN2O2H13C15 |
ABC2D2E13F15 |
-13.2 |
1.16 |
-8.8 |
-0.67 |
0 |
|
|
27969 |
824472 |
1 |
ClSN2O2C17H17 |
ABC2D2E17F17 |
-18.98 |
6.69 |
-8.74 |
-0.54 |
0 |
|
|
27970 |
824478 |
1 |
ClOSN2H13C15 |
ABCD2E13F15 |
18.18 |
3.83 |
-8.76 |
-1.03 |
0 |
|
|
27971 |
824480 |
1 |
ClNOSH16C19 |
ABCDE16F19 |
6.62 |
1.43 |
-8.64 |
-0.65 |
0 |
|
|
27972 |
824488 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-15.32 |
5.65 |
-8.51 |
-0.64 |
0 |
|
|
27973 |
824489 |
1 |
OSN3C16H19 |
ABC3D16E19 |
10.9 |
3.82 |
-8.58 |
-0.64 |
0 |
|
|
27974 |
824492 |
1 |
NO2C21H23 |
AB2C21D23 |
-36.36 |
3.47 |
-7.88 |
0.14 |
0 |
|
|
27975 |
824493 |
1 |
ClNSO2C18H18 |
ABCD2E18F18 |
-44.67 |
2.57 |
-9.16 |
-0.86 |
0 |
|
|
27976 |
824494 |
1 |
ClNOSC19H20 |
ABCDE19F20 |
-16.56 |
2.85 |
-8.94 |
-0.74 |
0 |
|
|
27977 |
824495 |
1 |
NO2C21H23 |
AB2C21D23 |
-36.73 |
3.61 |
-7.97 |
0.17 |
0 |
|
|
27978 |
824500 |
5 |
OC2H2 |
AB2C2 |
-160.29 |
4.51 |
-10.88 |
-0.16 |
0 |
|
|
27979 |
824501 |
1 |
O5C10H12 |
A5B10C12 |
-204.74 |
4.95 |
-11.13 |
0.09 |
0 |
|
|
27980 |
824502 |
1 |
NO5C11H13 |
AB5C11D13 |
-163.26 |
3.58 |
-10.23 |
-0.38 |
0 |
|
|
27981 |
824507 |
1 |
NO4C12H21 |
AB4C12D21 |
-209.96 |
2.01 |
-9.36 |
0.67 |
0 |
|
|
27982 |
824648 |
1 |
BrNOH6C9 |
ABCD6E9 |
6.78 |
5.15 |
-8.7 |
-1.08 |
0 |
|
|
27983 |
824655 |
1 |
NO3C9H11 |
AB3C9D11 |
-109.67 |
5.76 |
-9.32 |
-0.6 |
0 |
|
|
27984 |
824656 |
1 |
NO4C19H19 |
AB4C19D19 |
-112.82 |
3.15 |
-8.87 |
-0.02 |
0 |
|
|
27985 |
824657 |
1 |
NO4C19H19 |
AB4C19D19 |
-112.47 |
4.5 |
-9.0 |
-0.11 |
0 |
|
|
27986 |
824658 |
1 |
NO4C19H19 |
AB4C19D19 |
-111.89 |
3.48 |
-8.91 |
-0.02 |
0 |
|
|
27987 |
824659 |
1 |
BrNO2C9H12 |
ABC2D9E12 |
-61.46 |
2.46 |
-9.14 |
-0.18 |
0 |
|
|
27988 |
824660 |
1 |
Cl2N2C9H12 |
A2B2C9D12 |
-2.68 |
0.68 |
-10.07 |
-0.84 |
0 |
|
|
27989 |
824663 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-91.52 |
2.18 |
-9.42 |
-0.53 |
0 |
|
|
27990 |
824664 |
1 |
NO2C16H23 |
AB2C16D23 |
-75.58 |
4.11 |
-8.21 |
0.24 |
0 |
|
|
27991 |
824665 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-102.64 |
5.14 |
-9.88 |
-0.32 |
0 |
|
|
27992 |
824666 |
1 |
BrON2H7C10 |
ABC2D7E10 |
13.1 |
4.33 |
-9.74 |
-1.42 |
0 |
|
|
27993 |
824667 |
1 |
ClN2H7C10 |
AB2C7D10 |
66.49 |
1.2 |
-9.58 |
-1.11 |
0 |
|
|
27994 |
824669 |
2 |
BrNH4C5 |
ABC4D5 |
65.2 |
2.09 |
-9.28 |
-0.56 |
0 |
|
|
27995 |
824681 |
1 |
O4C15H20 |
A4B15C20 |
-160.09 |
5.0 |
-8.45 |
-0.01 |
0 |
|
|
27996 |
824696 |
1 |
ClO2N4H9C11 |
AB2C4D9E11 |
-40.94 |
4.86 |
-8.95 |
-0.93 |
0 |
|
|
27997 |
824699 |
1 |
ON2H22C23 |
AB2C22D23 |
17.45 |
7.73 |
-9.07 |
-0.78 |
0 |
|
|
27998 |
824703 |
1 |
ClNOH10C11 |
ABCD10E11 |
-10.61 |
1.1 |
-9.1 |
-0.88 |
0 |
|
|
27999 |
824720 |
1 |
OSN2C11H18 |
ABC2D11E18 |
-42.95 |
5.27 |
-8.91 |
0.15 |
0 |
|
|
28000 |
824740 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-55.05 |
4.28 |
-8.23 |
0.17 |
0 |
|
|
28001 |
824751 |
1 |
ON3C22H23 |
AB3C22D23 |
10.59 |
7.55 |
-8.61 |
-0.77 |
0 |
|
|
28002 |
824758 |
1 |
O3H14C15 |
A3B14C15 |
-86.05 |
6.25 |
-9.65 |
-0.28 |
0 |
|
|
28003 |
824781 |
1 |
O3C17H18 |
A3B17C18 |
-94.16 |
1.61 |
-9.44 |
-0.02 |
0 |
|
|
28004 |
824783 |
2 |
NOH8C9 |
ABC8D9 |
17.31 |
2.59 |
-9.04 |
-0.99 |
0 |
|
|
28005 |
824792 |
1 |
ON3H13C17 |
AB3C13D17 |
78.62 |
7.14 |
-9.06 |
-0.88 |
0 |
|
|
28006 |
824797 |
1 |
N3O3H5C8 |
A3B3C5D8 |
12.98 |
4.13 |
-10.07 |
-2.18 |
0 |
|
|
28007 |
824802 |
2 |
NOH9C10 |
ABC9D10 |
7.96 |
4.33 |
-8.86 |
-1.02 |
0 |
|
|
28008 |
824807 |
1 |
ON3H11C13 |
AB3C11D13 |
35.69 |
2.81 |
-9.31 |
-0.91 |
0 |
|
|
28009 |
824818 |
1 |
ClN3H8C10 |
AB3C8D10 |
63.69 |
2.85 |
-8.84 |
-0.99 |
0 |
|
|
28010 |
824826 |
1 |
NO2C18H19 |
AB2C18D19 |
-43.54 |
1.82 |
-8.95 |
0.06 |
0 |
|
|
28011 |
824832 |
1 |
NO2H17C18 |
AB2C17D18 |
1.2 |
3.03 |
-8.86 |
0.14 |
0 |
|
|
28012 |
824841 |
1 |
O2C17H20 |
A2B17C20 |
-43.79 |
2.04 |
-9.26 |
0.45 |
0 |
|
|
28013 |
824851 |
1 |
NO3C13H21 |
AB3C13D21 |
-147.23 |
3.62 |
-9.79 |
0.45 |
0 |
|
|
28014 |
824854 |
1 |
O2C19H24 |
A2B19C24 |
-93.92 |
1.61 |
-9.3 |
0.44 |
0 |
|
|
28015 |
824857 |
1 |
O2C15H24 |
A2B15C24 |
-117.68 |
6.87 |
-9.59 |
0.22 |
0 |
|
|
28016 |
824871 |
1 |
N2O2S2H14C15 |
A2B2C2D14E15 |
-10.78 |
4.91 |
-9.43 |
-1.27 |
0 |
|
|
28017 |
824881 |
1 |
NSO3H13C15 |
ABC3D13E15 |
-62.46 |
3.03 |
-9.14 |
-0.38 |
0 |
|
|
28018 |
824885 |
1 |
N3O3C11H11 |
A3B3C11D11 |
17.44 |
10.08 |
-9.46 |
-0.79 |
0 |
|
|
28019 |
824902 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-77.05 |
3.25 |
-8.76 |
-0.45 |
0 |
|
|
28020 |
824903 |
1 |
NO4C19H19 |
AB4C19D19 |
-118.54 |
2.01 |
-8.62 |
-0.59 |
0 |
|
|
28021 |
824919 |
1 |
ClNO2H12C16 |
ABC2D12E16 |
-31.11 |
7.1 |
-8.93 |
-0.56 |
0 |
|
|
28022 |
824929 |
1 |
OSN4C17H20 |
ABC4D17E20 |
43.71 |
5.3 |
-8.65 |
-1.01 |
0 |