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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
296000 |
117549691 |
1 |
NOC15H21 |
ABC15D21 |
4.85 |
3.78 |
-9.08 |
0.38 |
0 |
|
|
296001 |
117549752 |
1 |
BrNOC14H14 |
ABCD14E14 |
27.03 |
4.19 |
-9.25 |
-0.47 |
0 |
|
|
296002 |
117549820 |
1 |
FNOC15H20 |
ABCD15E20 |
-47.12 |
4.07 |
-8.92 |
-0.29 |
0 |
|
|
296003 |
117549821 |
1 |
FNOC15H20 |
ABCD15E20 |
-49.71 |
4.01 |
-9.3 |
-0.03 |
0 |
|
|
296004 |
117549824 |
1 |
NO2C16H23 |
AB2C16D23 |
-42.67 |
3.9 |
-8.79 |
0.27 |
0 |
|
|
296005 |
117549826 |
1 |
ClNOC15H20 |
ABCD15E20 |
-9.88 |
4.36 |
-9.25 |
-0.08 |
0 |
|
|
296006 |
117549828 |
1 |
ClNOC15H20 |
ABCD15E20 |
-10.35 |
2.86 |
-9.21 |
-0.3 |
0 |
|
|
296007 |
117549829 |
1 |
BrNOC15H20 |
ABCD15E20 |
0.13 |
1.71 |
-9.04 |
-0.36 |
0 |
|
|
296008 |
117549940 |
1 |
NO3C13H15 |
AB3C13D15 |
-60.19 |
3.21 |
-9.96 |
-0.37 |
0 |
|
|
296009 |
117550017 |
2 |
O2C7H8 |
A2B7C8 |
-116.77 |
3.02 |
-9.63 |
-0.1 |
0 |
|
|
296010 |
117550113 |
1 |
NO2C14H19 |
AB2C14D19 |
-35.0 |
6.02 |
-9.43 |
0.0 |
0 |
|
|
296011 |
117550239 |
1 |
NO2C15H23 |
AB2C15D23 |
-62.82 |
5.17 |
-8.31 |
0.3 |
0 |
|
|
296012 |
117550240 |
1 |
O3C15H22 |
A3B15C22 |
-111.26 |
4.35 |
-8.92 |
0.12 |
0 |
|
|
296013 |
117550449 |
1 |
FO3C14H17 |
AB3C14D17 |
-149.61 |
3.51 |
-9.77 |
-0.25 |
0 |
|
|
296014 |
117550677 |
1 |
ON3C14H21 |
AB3C14D21 |
6.99 |
3.45 |
-8.77 |
-0.16 |
0 |
|
|
296015 |
117550679 |
1 |
ON3C14H21 |
AB3C14D21 |
12.61 |
3.26 |
-8.85 |
-0.31 |
0 |
|
|
296016 |
117550788 |
1 |
NO3C15H19 |
AB3C15D19 |
-61.03 |
4.81 |
-8.91 |
-0.15 |
0 |
|
|
296017 |
117550807 |
1 |
NOC8H15 |
ABC8D15 |
-19.83 |
1.9 |
-9.63 |
1.86 |
0 |
|
|
296018 |
117551032 |
1 |
NO3C11H13 |
AB3C11D13 |
-85.23 |
6.66 |
-9.34 |
-0.29 |
0 |
|
|
296019 |
117551163 |
1 |
BrO3C11H13 |
AB3C11D13 |
-75.16 |
2.5 |
-8.57 |
-0.74 |
0 |
|
|
296020 |
117551311 |
1 |
ClN3C13H16 |
AB3C13D16 |
21.44 |
5.17 |
-8.81 |
-0.03 |
0 |
|
|
296021 |
117551343 |
1 |
ON3C15H21 |
AB3C15D21 |
-5.46 |
1.88 |
-8.26 |
0.39 |
0 |
|
|
296022 |
117551390 |
1 |
ON3C15H21 |
AB3C15D21 |
-18.2 |
3.05 |
-8.04 |
0.39 |
0 |
|
|
296023 |
117551538 |
1 |
ClN3C14H18 |
AB3C14D18 |
18.38 |
4.46 |
-8.64 |
-0.06 |
0 |
|
|
296024 |
117551539 |
1 |
ClN3C14H18 |
AB3C14D18 |
18.63 |
5.28 |
-8.54 |
-0.07 |
0 |
|
|
296025 |
117551592 |
1 |
N3C13H25 |
A3B13C25 |
-23.27 |
3.25 |
-8.57 |
1.0 |
0 |
|
|
296026 |
117551719 |
1 |
N3C15H19 |
A3B15C19 |
42.79 |
4.53 |
-8.55 |
0.34 |
0 |
|
|
296027 |
117551756 |
2 |
N2C7H9 |
A2B7C9 |
44.01 |
3.12 |
-8.6 |
-0.14 |
0 |
|
|
296028 |
117551787 |
1 |
N3C15H25 |
A3B15C25 |
-11.08 |
3.64 |
-8.57 |
0.97 |
0 |
|
|
296029 |
117551792 |
1 |
N3C16H21 |
A3B16C21 |
23.15 |
2.77 |
-8.45 |
0.28 |
0 |
|
|
296030 |
117551803 |
1 |
BrN3C15H18 |
AB3C15D18 |
30.6 |
4.71 |
-8.37 |
-0.15 |
0 |
|
|
296031 |
117551804 |
1 |
N3C17H23 |
A3B17C23 |
16.91 |
5.03 |
-8.47 |
0.42 |
0 |
|
|
296032 |
117551806 |
3 |
NC4H7 |
AB4C7 |
-7.18 |
4.97 |
-8.66 |
0.89 |
0 |
|
|
296033 |
117551873 |
1 |
N3C14H19 |
A3B14C19 |
27.18 |
2.18 |
-8.24 |
-0.04 |
0 |
|
|
296034 |
117552041 |
1 |
ClN2C12H13 |
AB2C12D13 |
24.87 |
2.35 |
-8.58 |
0.23 |
0 |
|
|
296035 |
117552084 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-49.94 |
2.7 |
-8.53 |
0.12 |
0 |
|
|
296036 |
117552125 |
1 |
ON3C12H15 |
AB3C12D15 |
-3.3 |
5.89 |
-8.77 |
-0.2 |
0 |
|
|
296037 |
117552163 |
1 |
ON2C12H20 |
AB2C12D20 |
-55.47 |
5.5 |
-8.76 |
0.79 |
0 |
|
|
296038 |
117552176 |
1 |
N2O4H12C13 |
A2B4C12D13 |
-110.01 |
7.01 |
-8.67 |
-0.6 |
0 |
|
|
296039 |
117552235 |
1 |
BrN2O2C14H15 |
AB2C2D14E15 |
-54.56 |
1.89 |
-8.75 |
-0.22 |
0 |
|
|
296040 |
117552306 |
1 |
FN2O2C14H15 |
AB2C2D14E15 |
-105.68 |
3.5 |
-8.64 |
0.01 |
0 |
|
|
296041 |
117552405 |
2 |
NOC7H11 |
ABC7D11 |
-103.37 |
5.89 |
-8.76 |
0.82 |
0 |
|
|
296042 |
117552438 |
1 |
ON3H9C10 |
AB3C9D10 |
28.65 |
2.4 |
-9.06 |
-0.71 |
0 |
|
|
296043 |
117552444 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-27.97 |
5.1 |
-8.49 |
-0.61 |
0 |
|
|
296044 |
117552545 |
1 |
OSN2C14H18 |
ABC2D14E18 |
-10.99 |
2.94 |
-8.47 |
0.2 |
0 |
|
|
296045 |
117552550 |
1 |
BrSN2C12H13 |
ABC2D12E13 |
33.09 |
3.43 |
-8.37 |
-0.2 |
0 |
|
|
296046 |
117552580 |
1 |
ON3C12H15 |
AB3C12D15 |
8.04 |
4.22 |
-8.16 |
0.34 |
0 |
|
|
296047 |
117552591 |
1 |
O2N3C12H13 |
A2B3C12D13 |
-15.92 |
3.39 |
-8.34 |
-0.03 |
0 |
|
|
296048 |
117552687 |
1 |
OCl2N2H8C10 |
AB2C2D8E10 |
-26.99 |
2.73 |
-8.73 |
-0.9 |
0 |
|
|
296049 |
117552740 |
1 |
FN3H8C11 |
AB3C8D11 |
37.53 |
5.74 |
-9.3 |
-0.45 |
0 |
|
|
296050 |
117552774 |
1 |
ClON3H10C12 |
ABC3D10E12 |
35.92 |
8.12 |
-8.89 |
-0.42 |
0 |
|
|
296051 |
117553035 |
1 |
N3C11H17 |
A3B11C17 |
18.67 |
2.0 |
-8.92 |
0.62 |
0 |
|
|
296052 |
117553088 |
1 |
ON2C9H14 |
AB2C9D14 |
-37.73 |
2.94 |
-9.13 |
-0.32 |
0 |
|
|
296053 |
117553244 |
1 |
BrN4C15H19 |
AB4C15D19 |
47.42 |
5.83 |
-8.62 |
-0.05 |
0 |
|
|
296054 |
117553266 |
1 |
ON3C12H21 |
AB3C12D21 |
-43.38 |
3.06 |
-8.59 |
0.92 |
0 |
|
|
296055 |
117553360 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-66.19 |
1.82 |
-8.51 |
0.23 |
0 |
|
|
296056 |
117553369 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-67.03 |
2.81 |
-8.09 |
0.37 |
0 |
|
|
296057 |
117553375 |
1 |
ON2C8H14 |
AB2C8D14 |
-50.99 |
2.16 |
-8.68 |
0.88 |
0 |
|
|
296058 |
117553432 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-52.88 |
2.46 |
-8.22 |
0.3 |
0 |
|
|
296059 |
117553487 |
1 |
ON3C9H17 |
AB3C9D17 |
-46.53 |
1.26 |
-8.77 |
0.83 |
0 |
|
|
296060 |
117553616 |
1 |
FON2C14H15 |
ABC2D14E15 |
-36.24 |
4.87 |
-8.87 |
-0.2 |
0 |
|
|
296061 |
117553721 |
1 |
N3C16H21 |
A3B16C21 |
36.57 |
3.06 |
-8.33 |
0.35 |
0 |
|
|
296062 |
117553724 |
1 |
N3C17H23 |
A3B17C23 |
30.89 |
3.6 |
-8.4 |
0.29 |
0 |
|
|
296063 |
117553784 |
1 |
BrON2C15H17 |
ABC2D15E17 |
-8.62 |
5.81 |
-8.52 |
-0.23 |
0 |
|
|
296064 |
117553860 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-93.95 |
3.94 |
-8.9 |
0.03 |
0 |
|
|
296065 |
117553957 |
1 |
ON2C16H22 |
AB2C16D22 |
-32.41 |
5.03 |
-8.46 |
0.28 |
0 |
|
|
296066 |
117554078 |
1 |
FN3C14H14 |
AB3C14D14 |
16.33 |
4.1 |
-9.04 |
-0.14 |
0 |
|
|
296067 |
117554188 |
1 |
N4C15H28 |
A4B15C28 |
-6.1 |
3.07 |
-8.52 |
1.02 |
0 |
|
|
296068 |
117554203 |
1 |
FO2N3C13H14 |
AB2C3D13E14 |
-90.54 |
2.36 |
-9.06 |
-0.22 |
0 |
|
|
296069 |
117554445 |
1 |
ON3C13H15 |
AB3C13D15 |
-14.81 |
2.62 |
-8.81 |
-0.16 |
0 |
|
|
296070 |
117554619 |
1 |
N2O3C9H18 |
A2B3C9D18 |
-145.06 |
1.67 |
-8.92 |
0.9 |
0 |
|
|
296071 |
117554655 |
1 |
ClNO2C9H12 |
ABC2D9E12 |
-82.0 |
3.73 |
-8.65 |
-0.14 |
0 |
|
|
296072 |
117554663 |
1 |
ClNO2C11H16 |
ABC2D11E16 |
-98.99 |
2.58 |
-8.67 |
-0.13 |
0 |
|
|
296073 |
117554810 |
1 |
NCl2O2C10H13 |
AB2C2D10E13 |
-96.39 |
2.35 |
-8.87 |
-0.54 |
0 |
|
|
296074 |
117554865 |
1 |
N5C12H17 |
A5B12C17 |
66.83 |
8.13 |
-8.43 |
-0.56 |
0 |
|
|
296075 |
117554876 |
1 |
ON6C12H16 |
AB6C12D16 |
41.97 |
3.06 |
-9.05 |
-1.02 |
0 |
|
|
296076 |
117554910 |
1 |
BrN5H12C13 |
AB5C12D13 |
107.09 |
4.83 |
-8.92 |
-1.11 |
0 |
|
|
296077 |
117555005 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-64.34 |
9.32 |
-9.17 |
-1.17 |
0 |
|
|
296078 |
117555195 |
1 |
SN2O2C7H16 |
AB2C2D7E16 |
-65.94 |
3.45 |
-9.96 |
-0.08 |
0 |
|
|
296079 |
117555310 |
1 |
SN3C8H11 |
AB3C8D11 |
48.02 |
7.22 |
-8.99 |
-0.92 |
0 |
|
|
296080 |
117555335 |
1 |
SN3H11C13 |
AB3C11D13 |
86.98 |
6.49 |
-9.04 |
-1.03 |
0 |
|
|
296081 |
117555351 |
1 |
SN3H11C13 |
AB3C11D13 |
87.9 |
6.61 |
-8.82 |
-1.09 |
0 |
|
|
296082 |
117555358 |
1 |
SN3H11C12 |
AB3C11D12 |
80.3 |
6.32 |
-8.75 |
-1.22 |
0 |
|
|
296083 |
117555407 |
1 |
BrSN3H8C11 |
ABC3D8E11 |
85.86 |
3.68 |
-9.0 |
-1.45 |
0 |
|
|
296084 |
117555447 |
1 |
SN3C11H19 |
AB3C11D19 |
7.24 |
3.89 |
-8.66 |
-0.29 |
0 |
|
|
296085 |
117555516 |
2 |
N2C5H8 |
A2B5C8 |
26.18 |
1.87 |
-8.91 |
-0.2 |
0 |
|
|
296086 |
117555665 |
1 |
N4C13H16 |
A4B13C16 |
48.6 |
4.01 |
-9.03 |
-0.32 |
0 |
|
|
296087 |
117555706 |
1 |
ON4C13H14 |
AB4C13D14 |
26.18 |
5.81 |
-9.11 |
-0.87 |
0 |
|
|
296088 |
117555714 |
1 |
BrN4C12H13 |
AB4C12D13 |
62.96 |
3.99 |
-8.87 |
-0.61 |
0 |
|
|
296089 |
117555720 |
1 |
Cl2N4H10C11 |
A2B4C10D11 |
46.15 |
4.0 |
-9.19 |
-0.97 |
0 |
|
|
296090 |
117555820 |
1 |
N4C15H20 |
A4B15C20 |
42.62 |
3.77 |
-8.93 |
-0.11 |
0 |
|
|
296091 |
117555835 |
1 |
FN4C13H15 |
AB4C13D15 |
12.23 |
1.86 |
-8.97 |
-0.67 |
0 |
|
|
296092 |
117555907 |
1 |
N4C15H20 |
A4B15C20 |
44.23 |
5.46 |
-8.85 |
-0.37 |
0 |
|
|
296093 |
117556085 |
1 |
ClN2O2C12H15 |
AB2C2D12E15 |
-75.79 |
3.71 |
-8.9 |
-0.16 |
0 |
|
|
296094 |
117556112 |
1 |
NS2O4C9H13 |
AB2C4D9E13 |
-143.48 |
4.48 |
-9.88 |
-1.57 |
0 |
|
|
296095 |
117556396 |
1 |
FN5C13H16 |
AB5C13D16 |
12.88 |
1.97 |
-8.77 |
-0.32 |
0 |
|
|
296096 |
117556415 |
1 |
N5C11H19 |
A5B11C19 |
47.31 |
4.42 |
-8.81 |
0.19 |
0 |
|
|
296097 |
117556418 |
1 |
N5C12H23 |
A5B12C23 |
11.72 |
3.82 |
-8.7 |
0.33 |
0 |
|
|
296098 |
117556470 |
1 |
O2N5C12H13 |
A2B5C12D13 |
-16.03 |
5.84 |
-9.6 |
-0.58 |
0 |
|
|
296099 |
117556501 |
2 |
ON2C5H7 |
AB2C5D7 |
-31.88 |
3.01 |
-9.47 |
-0.44 |
0 |