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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
89048 |
49958965 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-28.68 |
5.01 |
-8.99 |
-0.61 |
0 |
|
|
89049 |
49958967 |
1 |
ON2H16C17 |
AB2C16D17 |
47.95 |
4.31 |
-9.62 |
-0.22 |
0 |
|
|
89050 |
49958968 |
1 |
ON2H16C18 |
AB2C16D18 |
74.78 |
3.96 |
-9.52 |
-0.33 |
0 |
|
|
89051 |
49958969 |
1 |
ON2C21H22 |
AB2C21D22 |
35.94 |
4.05 |
-9.59 |
-0.14 |
0 |
|
|
89052 |
49958995 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
8.6 |
3.56 |
-8.92 |
-1.1 |
0 |
|
|
89053 |
49959005 |
2 |
NOH9C11 |
ABC9D11 |
49.56 |
5.09 |
-8.72 |
-1.13 |
0 |
|
|
89054 |
49959016 |
1 |
Cl2N2O3H18C22 |
A2B2C3D18E22 |
-22.92 |
3.38 |
-8.96 |
-0.75 |
0 |
|
|
89055 |
49959020 |
1 |
BrN2O3H19C22 |
AB2C3D19E22 |
-4.55 |
3.44 |
-9.01 |
-0.88 |
0 |
|
|
89056 |
49959021 |
1 |
N2O3H16C20 |
A2B3C16D20 |
7.13 |
6.36 |
-8.73 |
-0.95 |
0 |
|
|
89057 |
49959022 |
1 |
IN2O3H15C17 |
AB2C3D15E17 |
-7.24 |
2.5 |
-8.9 |
-1.02 |
0 |
|
|
89058 |
49959023 |
1 |
BrN2O3H17C21 |
AB2C3D17E21 |
10.24 |
5.36 |
-8.76 |
-0.98 |
0 |
|
|
89059 |
49959067 |
1 |
N2O3H6C7 |
A2B3C6D7 |
-20.2 |
2.37 |
-9.3 |
-0.94 |
0 |
|
|
89060 |
49959073 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-46.49 |
3.02 |
-8.82 |
-0.55 |
0 |
|
|
89061 |
49959074 |
1 |
IN2O3H9C10 |
AB2C3D9E10 |
-17.74 |
1.1 |
-8.98 |
-1.01 |
0 |
|
|
89062 |
49959076 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-38.55 |
2.79 |
-8.98 |
-0.55 |
0 |
|
|
89063 |
49959077 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-46.26 |
3.04 |
-8.7 |
-0.55 |
0 |
|
|
89064 |
49959104 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-58.22 |
3.47 |
-8.48 |
-0.8 |
0 |
|
|
89065 |
49959105 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-6.99 |
2.49 |
-9.56 |
-0.24 |
0 |
|
|
89066 |
49959112 |
2 |
NOC6H6 |
ABC6D6 |
8.08 |
3.5 |
-8.97 |
-0.9 |
0 |
|
|
89067 |
49959119 |
1 |
Br2N2O3H8C10 |
A2B2C3D8E10 |
-20.14 |
4.36 |
-9.29 |
-0.81 |
0 |
|
|
89068 |
49959120 |
1 |
N2O4C11H12 |
A2B4C11D12 |
-64.22 |
3.02 |
-8.74 |
-0.42 |
0 |
|
|
89069 |
49959133 |
1 |
N2O3H14C16 |
A2B3C14D16 |
0.11 |
3.9 |
-9.07 |
-1.38 |
0 |
|
|
89070 |
49959135 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-21.5 |
5.86 |
-9.07 |
-0.92 |
0 |
|
|
89071 |
49959137 |
1 |
BrN3O4H12C19 |
AB3C4D12E19 |
49.61 |
2.61 |
-8.9 |
-1.83 |
0 |
|
|
89072 |
49959138 |
1 |
BrN4O6H11C19 |
AB4C6D11E19 |
50.91 |
7.02 |
-9.06 |
-2.38 |
0 |
|
|
89073 |
49959153 |
1 |
BrN2O2C19H19 |
AB2C2D19E19 |
1.78 |
4.25 |
-8.94 |
-0.95 |
0 |
|
|
89074 |
49959174 |
1 |
BrFN2O2H12C19 |
ABC2D2E12F19 |
5.05 |
4.0 |
-8.95 |
-1.16 |
0 |
|
|
89075 |
49959198 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-16.54 |
4.35 |
-8.88 |
-0.92 |
0 |
|
|
89076 |
49959199 |
1 |
Br2N2O3H14C17 |
A2B2C3D14E17 |
-7.44 |
4.48 |
-9.01 |
-1.03 |
0 |
|
|
89077 |
49959208 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-44.83 |
2.39 |
-8.78 |
-0.67 |
0 |
|
|
89078 |
49959209 |
1 |
BrN2O3H17C21 |
AB2C3D17E21 |
9.4 |
4.92 |
-8.81 |
-0.99 |
0 |
|
|
89079 |
49959211 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-19.82 |
3.89 |
-8.94 |
-0.98 |
0 |
|
|
89080 |
49959213 |
1 |
BrClN2O3H14C17 |
ABC2D3E14F17 |
-17.07 |
2.98 |
-9.18 |
-1.0 |
0 |
|
|
89081 |
49959215 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-24.79 |
4.15 |
-9.04 |
-0.54 |
0 |
|
|
89082 |
49959223 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-25.24 |
3.65 |
-8.87 |
-0.88 |
0 |
|
|
89083 |
49959224 |
1 |
N2O3H20C23 |
A2B3C20D23 |
9.93 |
4.28 |
-9.04 |
-0.98 |
0 |
|
|
89084 |
49959243 |
1 |
Br2N2O3H14C17 |
A2B2C3D14E17 |
-8.83 |
3.19 |
-9.16 |
-1.07 |
0 |
|
|
89085 |
49959245 |
1 |
N2O2H18C19 |
A2B2C18D19 |
23.08 |
4.12 |
-8.77 |
-1.07 |
0 |
|
|
89086 |
49959255 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-21.87 |
3.8 |
-8.92 |
-0.54 |
0 |
|
|
89087 |
49959265 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-25.54 |
1.7 |
-9.08 |
-0.89 |
0 |
|
|
89088 |
49959271 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-16.55 |
3.09 |
-9.06 |
-1.06 |
0 |
|
|
89089 |
49959305 |
2 |
ClNOH9C10 |
ABCD9E10 |
-1.2 |
4.92 |
-9.11 |
-1.0 |
0 |
|
|
89090 |
49959310 |
1 |
ClN2O4H17C19 |
AB2C4D17E19 |
-43.8 |
5.87 |
-8.34 |
-1.2 |
0 |
|
|
89091 |
49959338 |
1 |
Br2N2O5H18C19 |
A2B2C5D18E19 |
-102.4 |
6.03 |
-8.69 |
-1.22 |
0 |
|
|
89092 |
49959339 |
1 |
BrN2O5C20H21 |
AB2C5D20E21 |
-94.62 |
3.12 |
-8.95 |
-1.14 |
0 |
|
|
89093 |
49959340 |
2 |
NO2C10H10 |
AB2C10D10 |
-46.93 |
6.7 |
-8.76 |
-1.15 |
0 |
|
|
89094 |
49959349 |
1 |
Br2N2O3H14C17 |
A2B2C3D14E17 |
-10.98 |
1.52 |
-9.02 |
-1.04 |
0 |
|
|
89095 |
49959363 |
1 |
Cl2N2O2H16C21 |
A2B2C2D16E21 |
16.0 |
4.08 |
-9.02 |
-0.74 |
0 |
|
|
89096 |
49959366 |
1 |
BrCl2N2O3H11C15 |
AB2C2D3E11F15 |
-23.03 |
4.77 |
-8.97 |
-1.35 |
0 |
|
|
89097 |
49959367 |
1 |
BrCl2N2O3H17C19 |
AB2C2D3E17F19 |
-47.74 |
2.98 |
-8.98 |
-0.76 |
0 |
|
|
89098 |
49959368 |
1 |
Cl2N2O3C20H20 |
A2B2C3D20E20 |
-54.86 |
5.41 |
-8.76 |
-0.64 |
0 |
|
|
89099 |
49959372 |
1 |
FCl2N2O2H13C17 |
AB2C2D2E13F17 |
-52.12 |
2.15 |
-9.15 |
-1.12 |
0 |
|
|
89100 |
49959384 |
1 |
N2Cl3O3H15C18 |
A2B3C3D15E18 |
-43.16 |
5.26 |
-9.06 |
-0.86 |
0 |
|
|
89101 |
49959385 |
2 |
ClNOH9C11 |
ABCD9E11 |
4.84 |
5.64 |
-8.93 |
-0.75 |
0 |
|
|
89102 |
49959391 |
1 |
Cl2N3O5H15C18 |
A2B3C5D15E18 |
-43.29 |
7.36 |
-9.16 |
-1.39 |
0 |
|
|
89103 |
49959392 |
1 |
ICl2N2O2H15C18 |
AB2C2D2E15F18 |
1.83 |
2.5 |
-9.05 |
-1.15 |
0 |
|
|
89104 |
49959394 |
1 |
SCl2N2O2H12C16 |
AB2C2D2E12F16 |
22.2 |
4.81 |
-9.13 |
-1.47 |
0 |
|
|
89105 |
49959399 |
1 |
Cl2N2O3H14C17 |
A2B2C3D14E17 |
-24.34 |
3.15 |
-8.98 |
-1.27 |
0 |
|
|
89106 |
49959411 |
1 |
BrClN2O3H16C18 |
ABC2D3E16F18 |
-29.2 |
2.88 |
-9.13 |
-1.17 |
0 |
|
|
89107 |
49959423 |
1 |
Br2N3O4H11C16 |
A2B3C4D11E16 |
23.68 |
2.86 |
-9.81 |
-2.2 |
0 |
|
|
89108 |
49959428 |
1 |
BrN3O4H12C16 |
AB3C4D12E16 |
22.07 |
3.31 |
-9.33 |
-2.19 |
0 |
|
|
89109 |
49959434 |
1 |
N3O3H13C19 |
A3B3C13D19 |
71.13 |
5.54 |
-9.23 |
-2.01 |
0 |
|
|
89110 |
49959472 |
1 |
BrCl2N2O3H15C18 |
AB2C2D3E15F18 |
-34.69 |
5.14 |
-9.08 |
-0.84 |
0 |
|
|
89111 |
49959477 |
1 |
ClN2O3H19C23 |
AB2C3D19E23 |
-0.05 |
5.86 |
-8.96 |
-1.04 |
0 |
|
|
89112 |
49959478 |
1 |
BrClN2O3H14C17 |
ABC2D3E14F17 |
-24.53 |
4.78 |
-8.97 |
-1.23 |
0 |
|
|
89113 |
49959479 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-4.97 |
3.33 |
-9.05 |
-1.48 |
0 |
|
|
89114 |
49959484 |
1 |
ClFN2O2H12C16 |
ABC2D2E12F16 |
-35.44 |
3.25 |
-9.06 |
-1.38 |
0 |
|
|
89115 |
49959498 |
1 |
N3O4H13C17 |
A3B4C13D17 |
31.91 |
8.83 |
-9.15 |
-1.94 |
0 |
|
|
89116 |
49959499 |
1 |
N3O4H15C21 |
A3B4C15D21 |
50.96 |
5.31 |
-9.09 |
-2.15 |
0 |
|
|
89117 |
49959500 |
1 |
ClN4O6H11C16 |
AB4C6D11E16 |
11.4 |
3.33 |
-9.34 |
-2.5 |
0 |
|
|
89118 |
49959501 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-26.65 |
4.3 |
-8.99 |
-0.72 |
0 |
|
|
89119 |
49959506 |
1 |
ClN2O3H11C14 |
AB2C3D11E14 |
-13.38 |
4.39 |
-9.01 |
-1.35 |
0 |
|
|
89120 |
49959511 |
1 |
Cl2N2O3H16C18 |
A2B2C3D16E18 |
-37.84 |
2.86 |
-9.11 |
-1.14 |
0 |
|
|
89121 |
49959513 |
1 |
ClN2O3H13C16 |
AB2C3D13E16 |
-6.83 |
4.48 |
-9.08 |
-1.47 |
0 |
|
|
89122 |
49959514 |
1 |
BrClN2O2H14C17 |
ABC2D2E14F17 |
5.28 |
4.33 |
-9.1 |
-1.3 |
0 |
|
|
89123 |
49959515 |
1 |
BrClN2O3H18C19 |
ABC2D3E18F19 |
-33.11 |
3.32 |
-9.0 |
-0.79 |
0 |
|
|
89124 |
49959524 |
1 |
N4O6H10C15 |
A4B6C10D15 |
21.66 |
4.86 |
-10.26 |
-2.08 |
0 |
|
|
89125 |
49959527 |
1 |
Br2N3O5H13C17 |
A2B3C5D13E17 |
-8.29 |
9.37 |
-9.82 |
-1.36 |
0 |
|
|
89126 |
49959530 |
1 |
N3O5C20H21 |
A3B5C20D21 |
-37.53 |
5.45 |
-8.99 |
-1.42 |
0 |
|
|
89127 |
49959531 |
1 |
BrN3O5H14C17 |
AB3C5D14E17 |
-20.52 |
6.99 |
-9.27 |
-1.44 |
0 |
|
|
89128 |
49959532 |
1 |
N3O5H17C18 |
A3B5C17D18 |
-27.32 |
7.7 |
-8.94 |
-1.38 |
0 |
|
|
89129 |
49959543 |
1 |
BrClN3O5H11C16 |
ABC3D5E11F16 |
-13.63 |
4.92 |
-9.54 |
-1.45 |
0 |
|
|
89130 |
49959549 |
1 |
ClN2Br3O3H10C16 |
AB2C3D3E10F16 |
-1.89 |
1.38 |
-9.33 |
-1.15 |
0 |
|
|
89131 |
49959551 |
1 |
N2Br3O3H15C18 |
A2B3C3D15E18 |
-2.78 |
6.94 |
-9.07 |
-1.15 |
0 |
|
|
89132 |
49959552 |
2 |
BrNOH7C9 |
ABCD7E9 |
39.78 |
5.18 |
-9.28 |
-1.2 |
0 |
|
|
89133 |
49959555 |
1 |
Br2N2O2C15H16 |
A2B2C2D15E16 |
-13.53 |
4.18 |
-9.39 |
-0.74 |
0 |
|
|
89134 |
49959558 |
1 |
SBr2N2O2H10C15 |
AB2C2D2E10F15 |
55.67 |
3.46 |
-9.39 |
-1.42 |
0 |
|
|
89135 |
49959561 |
1 |
N2O2Br3H11C16 |
A2B2C3D11E16 |
30.65 |
1.8 |
-9.43 |
-1.21 |
0 |
|
|
89136 |
49959562 |
1 |
N2Br3O3H15C18 |
A2B3C3D15E18 |
-7.97 |
1.66 |
-9.34 |
-1.0 |
0 |
|
|
89137 |
49959567 |
1 |
N2Br3O3H13C17 |
A2B3C3D13E17 |
-3.45 |
1.21 |
-9.22 |
-1.16 |
0 |
|
|
89138 |
49959573 |
1 |
Br2N2O3H16C18 |
A2B2C3D16E18 |
-13.03 |
4.23 |
-8.95 |
-0.99 |
0 |
|
|
89139 |
49959596 |
1 |
Br2N2O3H16C18 |
A2B2C3D16E18 |
-30.46 |
4.38 |
-9.16 |
-1.04 |
0 |
|
|
89140 |
49959597 |
1 |
BrN2O2H15C18 |
AB2C2D15E18 |
36.01 |
6.34 |
-9.21 |
-1.14 |
0 |
|
|
89141 |
49959635 |
1 |
N2O3H8C11 |
A2B3C8D11 |
-5.9 |
4.81 |
-9.18 |
-1.11 |
0 |
|
|
89142 |
49959643 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-32.36 |
2.88 |
-9.26 |
-0.49 |
0 |
|
|
89143 |
49959644 |
1 |
BrN2O3H11C14 |
AB2C3D11E14 |
-10.89 |
4.5 |
-9.26 |
-1.0 |
0 |
|
|
89144 |
49959668 |
1 |
ClBr2N2O3H13C17 |
AB2C2D3E13F17 |
-10.39 |
6.0 |
-9.04 |
-1.09 |
0 |
|
|
89145 |
49959669 |
1 |
BrClN2O2H14C18 |
ABC2D2E14F18 |
28.92 |
5.36 |
-8.98 |
-1.23 |
0 |
|
|
89146 |
49959670 |
1 |
BrClN2O3H14C17 |
ABC2D3E14F17 |
-17.39 |
6.08 |
-9.13 |
-1.03 |
0 |
|
|
89147 |
49959671 |
1 |
BrN2O2H17C21 |
AB2C2D17E21 |
34.74 |
6.29 |
-8.93 |
-0.73 |
0 |