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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
5285 |
12903 |
1 |
FN2O2H11C14 |
AB2C2D11E14 |
-53.79 |
1.68 |
-9.2 |
-0.9 |
0 |
|
|
5286 |
12904 |
1 |
Cl2N2O2C13H14 |
A2B2C2D13E14 |
-66.52 |
2.88 |
-8.7 |
-1.17 |
0 |
|
|
5287 |
12905 |
1 |
NCl2S2H11C14 |
AB2C2D11E14 |
52.9 |
1.62 |
-9.12 |
-1.02 |
0 |
|
|
5288 |
12908 |
1 |
NCl2O4C13H15 |
AB2C4D13E15 |
-166.26 |
5.32 |
-10.02 |
-0.86 |
0 |
|
|
5289 |
12909 |
1 |
SN3H13C16 |
AB3C13D16 |
103.56 |
1.64 |
-9.08 |
-1.13 |
0 |
|
|
5290 |
12910 |
1 |
FON2C16H25 |
ABC2D16E25 |
-101.92 |
1.45 |
-8.7 |
-0.09 |
0 |
|
|
5291 |
12911 |
1 |
ClON2C16H25 |
ABC2D16E25 |
-66.7 |
1.9 |
-8.79 |
-0.08 |
0 |
|
|
5292 |
12912 |
1 |
N3O3H11C14 |
A3B3C11D14 |
40.67 |
6.45 |
-9.27 |
-1.8 |
0 |
|
|
5293 |
12913 |
1 |
O3N4H10C13 |
A3B4C10D13 |
89.71 |
2.38 |
-9.36 |
-2.17 |
0 |
|
|
5294 |
12916 |
1 |
NaN2I3O4H8C11 |
AB2C3D4E8F11 |
-137.09 |
6.98 |
-8.01 |
-1.1 |
0 |
|
|
5295 |
12920 |
1 |
O2N3H13C16 |
A2B3C13D16 |
34.13 |
2.12 |
-9.61 |
-0.63 |
0 |
|
|
5296 |
12921 |
1 |
O2C19H34 |
A2B19C34 |
-106.22 |
4.08 |
-9.11 |
0.67 |
0 |
|
|
5297 |
12922 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-167.09 |
1.41 |
-10.27 |
-0.38 |
0 |
|
|
5298 |
12923 |
1 |
N2I3O4C13H13 |
A2B3C4D13E13 |
-98.75 |
5.95 |
-9.55 |
-1.8 |
0 |
|
|
5299 |
12925 |
1 |
O2N3H15C17 |
A2B3C15D17 |
29.98 |
2.04 |
-9.59 |
-0.64 |
0 |
|
|
5300 |
12927 |
1 |
SN4O4C15H26 |
AB4C4D15E26 |
-126.89 |
4.92 |
-8.85 |
-0.21 |
0 |
|
|
5301 |
12928 |
1 |
ON3C9H13 |
AB3C9D13 |
21.64 |
0.8 |
-8.74 |
0.25 |
0 |
|
|
5302 |
12929 |
1 |
SN4O4C16H28 |
AB4C4D16E28 |
-134.61 |
4.85 |
-8.85 |
-0.28 |
0 |
|
|
5303 |
12931 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-159.55 |
2.11 |
-8.46 |
-0.17 |
0 |
|
|
5304 |
12932 |
1 |
NPS3O4C14H24 |
ABC3D4E14F24 |
-248.64 |
8.03 |
-9.26 |
-0.65 |
0 |
|
|
5305 |
12933 |
1 |
ClS2N3O4C13H18 |
AB2C3D4E13F18 |
-107.41 |
7.04 |
-9.1 |
-1.01 |
0 |
|
|
5306 |
12934 |
1 |
ClS2N3O4H8C13 |
AB2C3D4E8F13 |
63.1 |
4.98 |
-9.37 |
-2.37 |
0 |
|
|
5307 |
12938 |
1 |
N2O4H16C19 |
A2B4C16D19 |
-106.38 |
1.15 |
-9.84 |
-1.02 |
0 |
|
|
5308 |
12940 |
1 |
N2O3C20H32 |
A2B3C20D32 |
-182.17 |
3.23 |
-10.19 |
-0.32 |
0 |
|
|
5309 |
12942 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-82.35 |
1.33 |
-9.61 |
-0.58 |
0 |
|
|
5310 |
12943 |
1 |
O5C20H34 |
A5B20C34 |
-275.07 |
2.83 |
-10.05 |
0.42 |
0 |
|
|
5311 |
12944 |
1 |
N2O3C21H34 |
A2B3C21D34 |
-186.53 |
1.54 |
-10.22 |
-0.33 |
0 |
|
|
5312 |
12946 |
1 |
HgNO3C8H12 |
ABC3D8E12 |
-102.63 |
6.47 |
0.0 |
0.0 |
0 |
|
|
5313 |
12947 |
1 |
ClSN3O5C18H28 |
ABC3D5E18F28 |
-204.4 |
6.18 |
-8.57 |
-1.32 |
0 |
|
|
5314 |
12953 |
1 |
O7C23H32 |
A7B23C32 |
-320.38 |
7.69 |
-10.0 |
-0.33 |
0 |
|
|
5315 |
12955 |
1 |
SnC2Cl2H6 |
AB2C2D6 |
-66.69 |
4.49 |
-10.97 |
-1.03 |
0 |
|
|
5316 |
12956 |
1 |
ClC5H11 |
AB5C11 |
-42.01 |
2.2 |
-10.44 |
1.05 |
0 |
|
|
5317 |
12957 |
1 |
NOC5H11 |
ABC5D11 |
-69.52 |
4.05 |
-10.18 |
1.24 |
0 |
|
|
5318 |
12958 |
1 |
PC3O3H9 |
AB3C3D9 |
-190.04 |
4.45 |
-10.85 |
1.08 |
0 |
|
|
5319 |
12959 |
1 |
PC2O2S2H7 |
AB2C2D2E7 |
-162.27 |
3.32 |
-9.49 |
-0.49 |
0 |
|
|
5320 |
12964 |
1 |
OC6H10 |
AB6C10 |
-39.43 |
2.98 |
-9.91 |
0.54 |
0 |
|
|
5321 |
12965 |
1 |
NOC5H11 |
ABC5D11 |
-56.41 |
4.12 |
-9.27 |
1.22 |
0 |
|
|
5322 |
12966 |
2 |
O2C5H9 |
A2B5C9 |
-208.65 |
2.56 |
-10.78 |
0.52 |
0 |
|
|
5323 |
12967 |
1 |
O2C3N3H7 |
A2B3C3D7 |
-41.4 |
1.31 |
-10.04 |
-0.66 |
0 |
|
|
5324 |
12970 |
6 |
CH2 |
AB2 |
-11.96 |
0.87 |
-9.6 |
1.52 |
0 |
|
|
5325 |
12971 |
2 |
ClC2H3 |
AB2C3 |
-14.35 |
0.51 |
-10.73 |
-0.22 |
0 |
|
|
5326 |
12972 |
1 |
O4C11H20 |
A4B11C20 |
-219.42 |
4.71 |
-11.08 |
-0.41 |
0 |
|
|
5327 |
12975 |
1 |
NOC9H19 |
ABC9D19 |
-74.44 |
4.44 |
-9.35 |
1.11 |
0 |
|
|
5328 |
12976 |
1 |
N2C3O3H6 |
A2B3C3D6 |
-137.87 |
3.0 |
-10.9 |
-0.24 |
0 |
|
|
5329 |
12977 |
1 |
PO3C4H11 |
AB3C4D11 |
-184.11 |
2.25 |
-9.62 |
1.2 |
0 |
|
|
5330 |
12979 |
2 |
O2C8H15 |
A2B8C15 |
-167.96 |
1.08 |
-10.79 |
-0.87 |
0 |
|
|
5331 |
12980 |
2 |
O2C3H3 |
A2B3C3 |
-101.12 |
0.75 |
-11.59 |
-1.23 |
0 |
|
|
5332 |
12981 |
1 |
O2C7H16 |
A2B7C16 |
-55.28 |
2.68 |
-9.91 |
0.55 |
0 |
|
|
5333 |
12983 |
1 |
ClFC2H4 |
ABC2D4 |
-67.22 |
0.24 |
-10.97 |
0.39 |
0 |
|
|
5334 |
12988 |
1 |
OC5H10 |
AB5C10 |
-50.38 |
2.47 |
-9.94 |
1.09 |
0 |
|
|
5335 |
12990 |
1 |
OC6H10 |
AB6C10 |
-43.21 |
3.33 |
-10.06 |
-0.03 |
0 |
|
|
5336 |
12991 |
1 |
OC4H6 |
AB4C6 |
-3.21 |
2.86 |
-10.25 |
1.25 |
0 |
|
|
5337 |
12992 |
2 |
C4H7 |
A4B7 |
-9.14 |
0.02 |
-8.23 |
0.88 |
0 |
|
|
5338 |
12994 |
2 |
HNC2 |
ABC2 |
79.75 |
0.0 |
-11.65 |
-1.53 |
0 |
|
|
5339 |
12995 |
2 |
OC2H4 |
AB2C4 |
-75.75 |
1.34 |
-9.6 |
1.04 |
0 |
|
|
5340 |
12998 |
1 |
O3C8H14 |
A3B8C14 |
-95.81 |
0.66 |
-9.55 |
0.9 |
0 |
|
|
5341 |
13000 |
1 |
BrC13H27 |
AB13C27 |
-63.56 |
1.96 |
-10.4 |
0.03 |
0 |
|
|
5342 |
13002 |
1 |
O2C3H4 |
A2B3C4 |
-34.83 |
1.88 |
-10.39 |
-0.32 |
0 |
|
|
5343 |
13003 |
1 |
NC5H11 |
AB5C11 |
-16.09 |
1.95 |
-9.02 |
3.13 |
0 |
|
|
5344 |
13005 |
2 |
OC3H4 |
AB3C4 |
-88.24 |
1.8 |
-10.19 |
0.19 |
0 |
|
|
5345 |
13006 |
2 |
OC3H4 |
AB3C4 |
-77.87 |
4.94 |
-9.63 |
-0.36 |
0 |
|
|
5346 |
13007 |
1 |
NC7H15 |
AB7C15 |
-21.07 |
1.48 |
-8.48 |
2.99 |
0 |
|
|
5347 |
13009 |
2 |
OC3H6 |
AB3C6 |
-108.35 |
2.37 |
-9.95 |
2.0 |
0 |
|
|
5348 |
13010 |
3 |
OC2H2 |
AB2C2 |
-106.52 |
5.77 |
-11.09 |
-1.6 |
0 |
|
|
5349 |
13012 |
1 |
ClOC7H11 |
ABC7D11 |
-68.51 |
5.09 |
-10.11 |
0.24 |
0 |
|
|
5350 |
13013 |
1 |
NO2C6H11 |
AB2C6D11 |
-67.77 |
2.71 |
-10.41 |
0.54 |
0 |
|
|
5351 |
13015 |
1 |
ClNH4C7 |
ABC4D7 |
46.31 |
3.38 |
-10.07 |
-1.04 |
0 |
|
|
5352 |
13016 |
1 |
SC8H10 |
AB8C10 |
18.29 |
1.51 |
-8.56 |
0.12 |
0 |
|
|
5353 |
13017 |
1 |
NOC7H13 |
ABC7D13 |
-62.88 |
4.11 |
-9.76 |
1.08 |
0 |
|
|
5354 |
13023 |
2 |
C5H6 |
A5B6 |
6.41 |
0.93 |
-9.02 |
0.53 |
0 |
|
|
5355 |
13024 |
10 |
CH |
AB |
34.81 |
0.81 |
-8.88 |
0.02 |
0 |
|
|
5356 |
13025 |
10 |
CH |
AB |
29.98 |
0.45 |
-8.77 |
0.09 |
0 |
|
|
5357 |
13030 |
2 |
C5H6 |
A5B6 |
18.2 |
1.52 |
-9.1 |
0.54 |
0 |
|
|
5358 |
13031 |
1 |
OC9H14 |
AB9C14 |
-55.46 |
3.05 |
-9.34 |
0.66 |
0 |
|
|
5359 |
13033 |
2 |
C5H6 |
A5B6 |
27.26 |
0.21 |
-9.33 |
0.4 |
0 |
|
|
5360 |
13034 |
1 |
OC9H12 |
AB9C12 |
-37.92 |
2.66 |
-9.42 |
0.14 |
0 |
|
|
5361 |
13035 |
1 |
NC9H19 |
AB9C19 |
-42.94 |
1.21 |
-8.65 |
3.21 |
0 |
|
|
5362 |
13036 |
1 |
C11H14 |
A11B14 |
9.77 |
0.06 |
-8.88 |
0.66 |
0 |
|
|
5363 |
13041 |
1 |
HOF5C6 |
ABC5D6 |
-234.88 |
1.96 |
-10.08 |
-1.29 |
0 |
|
|
5364 |
13043 |
2 |
C6H7 |
A6B7 |
18.63 |
0.65 |
-8.9 |
0.26 |
0 |
|
|
5365 |
13045 |
1 |
NOC5H5F6 |
ABC5D5E6 |
-327.73 |
3.93 |
-11.15 |
0.12 |
0 |
|
|
5366 |
13047 |
1 |
OC12H12 |
AB12C12 |
-14.56 |
1.65 |
-8.86 |
-0.49 |
0 |
|
|
5367 |
13048 |
1 |
ClON2C10H17 |
ABC2D10E17 |
-75.55 |
5.5 |
-8.68 |
0.12 |
0 |
|
|
5368 |
13053 |
1 |
FNO2H8C9 |
ABC2D8E9 |
-24.6 |
3.39 |
-10.12 |
-1.25 |
0 |
|
|
5369 |
13054 |
2 |
HC3F4 |
AB3C4 |
-385.83 |
3.09 |
-12.39 |
-1.17 |
0 |
|
|
5370 |
13056 |
1 |
NC13H26 |
AB13C26 |
-10.57 |
0.51 |
0.0 |
0.0 |
1 |
|
|
5371 |
13057 |
2 |
NOH4C5 |
ABC4D5 |
31.11 |
8.69 |
-8.9 |
-1.24 |
0 |
|
|
5372 |
13063 |
1 |
FN5C8H14 |
AB5C8D14 |
-20.07 |
6.14 |
-9.46 |
-0.02 |
0 |
|
|
5373 |
13064 |
2 |
O2C5H8 |
A2B5C8 |
-203.32 |
0.25 |
-10.74 |
0.8 |
0 |
|
|
5374 |
13065 |
1 |
C15H16 |
A15B16 |
34.22 |
0.6 |
-9.2 |
0.42 |
0 |
|
|
5375 |
13069 |
1 |
NH11C14 |
AB11C14 |
59.2 |
2.18 |
-7.77 |
-0.75 |
0 |
|
|
5376 |
13071 |
1 |
NOC13H19 |
ABC13D19 |
-37.63 |
2.44 |
-7.8 |
0.33 |
0 |
|
|
5377 |
13072 |
1 |
NO2C12H17 |
AB2C12D17 |
-83.53 |
2.68 |
-9.08 |
0.28 |
0 |
|
|
5379 |
13074 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-104.08 |
1.37 |
-10.67 |
-0.58 |
0 |
|
|
5380 |
13076 |
2 |
H7C8 |
A7B8 |
46.1 |
0.08 |
-7.95 |
-0.73 |
0 |
|
|
5381 |
13077 |
2 |
OC7H7 |
AB7C7 |
-62.14 |
4.65 |
-9.07 |
-0.69 |
0 |
|
|
5382 |
13079 |
2 |
ClNH5C6 |
ABC5D6 |
49.32 |
1.93 |
-8.89 |
-0.34 |
0 |
|
|
5383 |
13080 |
1 |
NO2C14H21 |
AB2C14D21 |
-71.45 |
1.94 |
-8.96 |
0.23 |
0 |
|
|
5384 |
13081 |
1 |
ClPO2S3C11H16 |
ABC2D3E11F16 |
-155.56 |
1.86 |
-8.99 |
-0.73 |
0 |
|
|
5385 |
13084 |
2 |
O2H5C7 |
A2B5C7 |
-117.32 |
1.77 |
-10.28 |
-1.38 |
0 |