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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
10181 |
98596 |
1 |
N2H6O7C8 |
A2B6C7D8 |
-115.64 |
6.49 |
-10.63 |
-2.39 |
0 |
|
|
10182 |
98627 |
1 |
NO5C16H19 |
AB5C16D19 |
-200.29 |
3.09 |
-9.82 |
-0.12 |
0 |
|
|
10183 |
98634 |
1 |
NO3C16H17 |
AB3C16D17 |
-40.47 |
1.31 |
-8.59 |
-0.58 |
0 |
|
|
10184 |
98694 |
1 |
O2N3H11C13 |
A2B3C11D13 |
58.61 |
9.44 |
-9.3 |
-1.18 |
0 |
|
|
10185 |
98700 |
1 |
NOC13H15 |
ABC13D15 |
-20.51 |
6.68 |
-8.01 |
-0.17 |
0 |
|
|
10186 |
98705 |
1 |
NO2H11C14 |
AB2C11D14 |
-22.81 |
1.66 |
-9.12 |
-0.96 |
0 |
|
|
10187 |
98706 |
1 |
OF6H8C10 |
AB6C8D10 |
-336.05 |
5.98 |
-10.74 |
-1.56 |
0 |
|
|
10188 |
98708 |
1 |
SN2O4C6H10 |
AB2C4D6E10 |
-159.09 |
1.23 |
-9.3 |
-0.76 |
0 |
|
|
10189 |
98709 |
1 |
ON2C10H18 |
AB2C10D18 |
-47.09 |
1.72 |
-8.83 |
1.25 |
0 |
|
|
10190 |
98713 |
1 |
BrOH7C9 |
ABC7D9 |
-14.44 |
2.07 |
-9.84 |
-0.86 |
0 |
|
|
10191 |
98731 |
1 |
ClN2O3C11H15 |
AB2C3D11E15 |
-111.93 |
7.34 |
-8.9 |
-0.29 |
0 |
|
|
10192 |
98742 |
1 |
ClOC12H15 |
ABC12D15 |
-52.91 |
3.66 |
-9.45 |
-0.43 |
0 |
|
|
10193 |
98761 |
2 |
NOH8C10 |
ABC8D10 |
34.14 |
1.83 |
-8.57 |
-0.83 |
0 |
|
|
10194 |
98762 |
1 |
SN2O6C21H24 |
AB2C6D21E24 |
-149.73 |
7.96 |
-9.1 |
-1.38 |
0 |
|
|
10195 |
98766 |
1 |
NO5C8H15 |
AB5C8D15 |
-248.41 |
4.84 |
-10.49 |
-0.08 |
0 |
|
|
10196 |
98803 |
1 |
O2N5C14H17 |
A2B5C14D17 |
19.13 |
2.45 |
-8.52 |
-0.74 |
0 |
|
|
10197 |
98808 |
6 |
CH |
AB |
88.44 |
0.18 |
-9.97 |
0.73 |
0 |
|
|
10198 |
98809 |
1 |
O3C6H14 |
A3B6C14 |
-136.15 |
1.74 |
-9.77 |
1.43 |
0 |
|
|
10199 |
98814 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-24.64 |
4.88 |
-8.6 |
-0.34 |
0 |
|
|
10200 |
98819 |
1 |
FN3O3C23H26 |
AB3C3D23E26 |
-124.96 |
6.16 |
-8.7 |
-0.62 |
0 |
|
|
10201 |
98826 |
1 |
ClON2C10H17 |
ABC2D10E17 |
-36.44 |
1.91 |
-9.73 |
0.61 |
0 |
|
|
10202 |
98834 |
1 |
N3O4H7C8 |
A3B4C7D8 |
-63.15 |
3.62 |
-11.04 |
-1.92 |
0 |
|
|
10203 |
98842 |
2 |
N2C7H8 |
A2B7C8 |
93.63 |
6.48 |
-8.4 |
-0.8 |
0 |
|
|
10204 |
98852 |
1 |
N3H9C14 |
A3B9C14 |
111.06 |
4.02 |
-8.98 |
-1.18 |
0 |
|
|
10205 |
98854 |
1 |
N5O5C11H13 |
A5B5C11D13 |
-140.9 |
2.15 |
-9.16 |
-0.59 |
0 |
|
|
10206 |
98857 |
1 |
OH12C18 |
AB12C18 |
30.01 |
0.62 |
-8.54 |
-0.85 |
0 |
|
|
10207 |
98875 |
1 |
O2N3H13C16 |
A2B3C13D16 |
43.58 |
8.24 |
-8.2 |
-1.65 |
0 |
|
|
10208 |
98877 |
1 |
NOC15H27 |
ABC15D27 |
-102.77 |
4.07 |
-9.62 |
1.37 |
0 |
|
|
10209 |
98881 |
1 |
NPbO2C13H23 |
ABC2D13E23 |
-42.68 |
7.77 |
-9.06 |
-0.51 |
0 |
|
|
10210 |
98882 |
2 |
OC6H11 |
AB6C11 |
-134.98 |
4.72 |
-10.59 |
0.74 |
0 |
|
|
10211 |
98891 |
1 |
BrC10H11 |
AB10C11 |
5.63 |
2.2 |
-9.36 |
0.03 |
0 |
|
|
10212 |
98914 |
4 |
OC4H4 |
AB4C4 |
-123.16 |
2.12 |
-9.05 |
-1.81 |
0 |
|
|
10213 |
98915 |
1 |
ClOC11H15 |
ABC11D15 |
-80.72 |
4.21 |
-10.56 |
-0.12 |
0 |
|
|
10214 |
98920 |
1 |
SnN3H17C20 |
AB3C17D20 |
152.66 |
4.94 |
-9.69 |
-0.24 |
0 |
|
|
10215 |
98950 |
1 |
ClO2H7C8 |
AB2C7D8 |
-71.35 |
4.17 |
-10.14 |
-0.77 |
0 |
|
|
10216 |
98983 |
2 |
ClOF2C5H5 |
ABC2D5E5 |
-305.53 |
5.23 |
-10.77 |
-0.71 |
0 |
|
|
10217 |
99000 |
1 |
NOC9H21 |
ABC9D21 |
-78.94 |
1.37 |
-8.39 |
2.73 |
0 |
|
|
10218 |
99024 |
1 |
NO3C12H13 |
AB3C12D13 |
-108.52 |
3.5 |
-9.95 |
-0.33 |
0 |
|
|
10219 |
99047 |
1 |
N2O5C13H16 |
A2B5C13D16 |
-203.51 |
2.31 |
-9.68 |
-0.1 |
0 |
|
|
10220 |
99054 |
1 |
N2O5C12H18 |
A2B5C12D18 |
-187.23 |
3.3 |
-9.59 |
-0.04 |
0 |
|
|
10221 |
99058 |
1 |
PC6O9H13 |
AB6C9D13 |
-452.54 |
3.46 |
-10.24 |
-0.36 |
0 |
|
|
10222 |
99059 |
1 |
NO3C21H29 |
AB3C21D29 |
-129.95 |
3.07 |
-9.03 |
0.12 |
0 |
|
|
10223 |
99065 |
1 |
NO4C13H13 |
AB4C13D13 |
-46.71 |
8.4 |
-8.94 |
-1.25 |
0 |
|
|
10224 |
99111 |
1 |
N5O6C22H23 |
A5B6C22D23 |
-197.47 |
7.81 |
-8.97 |
-1.05 |
0 |
|
|
10225 |
99114 |
1 |
O4C15H18 |
A4B15C18 |
-164.21 |
4.75 |
-10.0 |
-0.42 |
0 |
|
|
10226 |
99123 |
1 |
N5C48H73 |
A5B48C73 |
48.25 |
1.89 |
-8.43 |
-0.47 |
0 |
|
|
10227 |
99125 |
1 |
N5C40H57 |
A5B40C57 |
94.93 |
5.17 |
-8.27 |
-0.34 |
0 |
|
|
10228 |
99132 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-36.18 |
5.45 |
-9.11 |
-1.7 |
0 |
|
|
10229 |
99133 |
1 |
O2N4H16C17 |
A2B4C16D17 |
25.92 |
4.26 |
-9.23 |
-1.75 |
0 |
|
|
10230 |
99135 |
1 |
BrSN2C20H23 |
ABC2D20E23 |
39.2 |
3.9 |
-7.92 |
-0.39 |
0 |
|
|
10231 |
99137 |
1 |
ON2C10H20 |
AB2C10D20 |
-70.78 |
4.6 |
-8.95 |
1.33 |
0 |
|
|
10232 |
99139 |
1 |
ClN2O3S3C10H13 |
AB2C3D3E10F13 |
-90.91 |
3.36 |
-8.52 |
-1.78 |
0 |
|
|
10233 |
99140 |
1 |
S2N3O3C13H17 |
A2B3C3D13E17 |
-73.98 |
2.5 |
-8.39 |
-1.68 |
0 |
|
|
10234 |
99151 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-47.12 |
6.41 |
-8.9 |
-1.65 |
0 |
|
|
10235 |
99187 |
1 |
N2S2O3C9H18 |
A2B2C3D9E18 |
-130.21 |
2.25 |
-9.59 |
-1.69 |
0 |
|
|
10236 |
99203 |
1 |
OSN2C7H12 |
ABC2D7E12 |
-20.4 |
6.81 |
-9.6 |
-0.71 |
0 |
|
|
10237 |
99215 |
1 |
O3C16H16 |
A3B16C16 |
-67.28 |
5.17 |
-8.59 |
-0.47 |
0 |
|
|
10238 |
99225 |
1 |
SN2C9H12 |
AB2C9D12 |
22.77 |
2.15 |
-8.82 |
-0.35 |
0 |
|
|
10239 |
99278 |
1 |
N2O5C7H12 |
A2B5C7D12 |
-226.68 |
3.5 |
-10.14 |
0.23 |
0 |
|
|
10240 |
99326 |
1 |
O2H12C13 |
A2B12C13 |
-39.63 |
2.28 |
-8.71 |
-0.49 |
0 |
|
|
10241 |
99330 |
1 |
SN4O6C16H20 |
AB4C6D16E20 |
-165.98 |
7.02 |
-8.91 |
-1.13 |
0 |
|
|
10242 |
99343 |
1 |
PCl2N2O3C7H17 |
AB2C2D3E7F17 |
-230.65 |
0.83 |
-9.76 |
0.0 |
0 |
|
|
10243 |
99346 |
2 |
NC7H9 |
AB7C9 |
63.7 |
3.07 |
-8.79 |
-0.24 |
0 |
|
|
10244 |
99351 |
1 |
BrSN2H7C9 |
ABC2D7E9 |
67.05 |
2.58 |
-8.91 |
-0.87 |
0 |
|
|
10245 |
99356 |
1 |
SN3H13C15 |
AB3C13D15 |
86.26 |
1.4 |
-8.53 |
-0.92 |
0 |
|
|
10246 |
99357 |
1 |
BrN2O2C9H9 |
AB2C2D9E9 |
-42.09 |
2.24 |
-9.75 |
-0.86 |
0 |
|
|
10247 |
99439 |
1 |
PO3C18H39 |
AB3C18D39 |
-268.9 |
4.56 |
-10.32 |
1.26 |
0 |
|
|
10248 |
99450 |
1 |
SiO2N3C5H13 |
AB2C3D5E13 |
-71.79 |
1.17 |
-9.4 |
-0.38 |
0 |
|
|
10249 |
99459 |
6 |
COH2 |
ABC2 |
-260.39 |
3.86 |
-9.97 |
0.15 |
0 |
|
|
10250 |
99462 |
1 |
NSO9C15H19 |
ABC9D15E19 |
-374.01 |
4.64 |
-9.28 |
-0.71 |
0 |
|
|
10251 |
99479 |
2 |
OC7H10 |
AB7C10 |
-108.75 |
3.04 |
-7.93 |
0.49 |
0 |
|
|
10252 |
99495 |
1 |
NOSC7H7 |
ABCD7E7 |
21.74 |
4.67 |
-8.12 |
-0.84 |
0 |
|
|
10253 |
99518 |
2 |
ClOC3H6 |
ABC3D6 |
-121.31 |
2.1 |
-10.63 |
0.47 |
0 |
|
|
10254 |
99519 |
2 |
BrOC3H6 |
ABC3D6 |
-96.65 |
2.93 |
-10.37 |
-0.38 |
0 |
|
|
10255 |
99528 |
1 |
BrN4O5C10H11 |
AB4C5D10E11 |
-152.26 |
12.86 |
-9.28 |
-0.86 |
0 |
|
|
10256 |
99529 |
1 |
SN2O5C9H12 |
AB2C5D9E12 |
-213.81 |
4.52 |
-8.77 |
-0.83 |
0 |
|
|
10257 |
99545 |
1 |
N6H10C11 |
A6B10C11 |
96.89 |
5.55 |
-8.61 |
-0.87 |
0 |
|
|
10258 |
99552 |
1 |
NO4C15H17 |
AB4C15D17 |
-160.08 |
2.71 |
-9.66 |
-0.22 |
0 |
|
|
10259 |
99554 |
2 |
NC8H18 |
AB8C18 |
-61.49 |
0.52 |
-8.54 |
2.83 |
0 |
|
|
10260 |
99557 |
1 |
NO5C13H13 |
AB5C13D13 |
-158.12 |
2.84 |
-9.08 |
-0.74 |
0 |
|
|
10261 |
99559 |
1 |
PCl2N2O2C8H17 |
AB2C2D2E8F17 |
-187.39 |
5.01 |
-9.83 |
0.29 |
0 |
|
|
10262 |
99561 |
1 |
N2O2H8C13 |
A2B2C8D13 |
-2.75 |
8.27 |
-9.75 |
-1.62 |
0 |
|
|
10263 |
99564 |
1 |
NOC8H11 |
ABC8D11 |
-25.32 |
4.31 |
-8.67 |
1.17 |
0 |
|
|
10264 |
99565 |
1 |
COSN2H4 |
ABCD2E4 |
-0.83 |
1.43 |
-9.17 |
-0.39 |
0 |
|
|
10265 |
99567 |
2 |
C2N2O2H5 |
A2B2C2D5 |
-144.17 |
0.47 |
-10.41 |
0.03 |
0 |
|
|
10266 |
99568 |
1 |
NOS2H9C10 |
ABC2D9E10 |
4.22 |
1.28 |
-9.07 |
-1.23 |
0 |
|
|
10267 |
99569 |
1 |
SeC3O4H6 |
AB3C4D6 |
-143.59 |
4.54 |
-9.78 |
-1.19 |
0 |
|
|
10268 |
99570 |
1 |
BrO2H7C8 |
AB2C7D8 |
-66.45 |
3.75 |
-10.18 |
-0.98 |
0 |
|
|
10269 |
99573 |
1 |
NOH9C13 |
ABC9D13 |
56.35 |
3.51 |
-8.79 |
-1.08 |
0 |
|
|
10270 |
99581 |
1 |
NO5C24H31 |
AB5C24D31 |
-142.11 |
4.4 |
-8.38 |
-0.15 |
0 |
|
|
10271 |
99587 |
1 |
NSC2O3H7 |
ABC2D3E7 |
-124.12 |
2.07 |
-9.54 |
-0.27 |
0 |
|
|
10272 |
99588 |
1 |
NPC2O3H8 |
ABC2D3E8 |
-191.08 |
4.57 |
-9.8 |
1.42 |
0 |
|
|
10273 |
99589 |
1 |
PO4H13C20 |
AB4C13D20 |
-141.19 |
4.5 |
-8.87 |
-1.06 |
0 |
|
|
10274 |
99590 |
1 |
O3C10H12 |
A3B10C12 |
-108.41 |
2.84 |
-8.91 |
0.09 |
0 |
|
|
10275 |
99591 |
1 |
ClN3O11C17H24 |
AB3C11D17E24 |
-458.58 |
4.6 |
-10.3 |
-0.95 |
0 |
|
|
10276 |
99596 |
1 |
ClS2N3O6C18H20 |
AB2C3D6E18F20 |
-211.45 |
6.53 |
-8.6 |
-2.04 |
0 |
|
|
10277 |
99597 |
1 |
O3C8H14 |
A3B8C14 |
-149.64 |
3.63 |
-10.14 |
0.27 |
0 |
|
|
10278 |
99599 |
1 |
ClNOS2H6C9 |
ABCD2E6F9 |
4.87 |
2.25 |
-9.27 |
-1.43 |
0 |
|
|
10279 |
99601 |
2 |
NSC7H10 |
ABC7D10 |
34.6 |
5.86 |
-8.54 |
-0.34 |
0 |
|
|
10280 |
99603 |
1 |
ClNO2H12C16 |
ABC2D12E16 |
-28.79 |
6.39 |
-8.83 |
-0.75 |
0 |