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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
51234 |
12013874 |
1 |
SiC16H25 |
AB16C25 |
2.48 |
0.83 |
0.0 |
0.0 |
0 |
|
|
51235 |
12013875 |
1 |
OSH14C15 |
ABC14D15 |
29.15 |
2.49 |
-8.27 |
-0.45 |
0 |
|
|
51236 |
12013876 |
1 |
SCl2H8C9 |
AB2C8D9 |
19.92 |
2.25 |
-8.51 |
-0.45 |
0 |
|
|
51237 |
12013877 |
1 |
ClN2O6C22H23 |
AB2C6D22E23 |
-209.26 |
4.9 |
-9.86 |
-1.1 |
0 |
|
|
51238 |
12013878 |
1 |
IOC12H13 |
ABC12D13 |
-18.71 |
1.26 |
-8.86 |
-1.09 |
0 |
|
|
51239 |
12013879 |
1 |
NO4H17C20 |
AB4C17D20 |
-89.65 |
4.71 |
-8.88 |
-0.94 |
0 |
|
|
51240 |
12013882 |
1 |
N2O5H10C14 |
A2B5C10D14 |
-134.66 |
8.02 |
-9.15 |
-1.52 |
0 |
|
|
51241 |
12013883 |
2 |
NO3H5C7 |
AB3C5D7 |
-173.97 |
5.54 |
-9.02 |
-1.54 |
0 |
|
|
51242 |
12013884 |
2 |
NO3H4C7 |
AB3C4D7 |
-156.94 |
6.52 |
-9.17 |
-1.7 |
0 |
|
|
51243 |
12013885 |
1 |
Cl2N2O4H6C13 |
A2B2C4D6E13 |
-110.72 |
5.15 |
-9.96 |
-1.73 |
0 |
|
|
51244 |
12013886 |
1 |
NO2C7H7 |
AB2C7D7 |
-49.03 |
6.26 |
-9.6 |
-0.27 |
0 |
|
|
51245 |
12013887 |
1 |
NO3H11C14 |
AB3C11D14 |
-56.22 |
4.97 |
-9.9 |
-1.16 |
0 |
|
|
51246 |
12013888 |
1 |
NO3H13C15 |
AB3C13D15 |
-66.99 |
5.96 |
-9.79 |
-1.08 |
0 |
|
|
51247 |
12013889 |
1 |
ClNO3H10C14 |
ABC3D10E14 |
-65.93 |
3.61 |
-9.99 |
-1.35 |
0 |
|
|
51248 |
12013890 |
1 |
NCl2O3H9C14 |
AB2C3D9E14 |
-73.75 |
3.71 |
-10.04 |
-1.41 |
0 |
|
|
51249 |
12013891 |
1 |
ClNO3H10C14 |
ABC3D10E14 |
-64.85 |
4.57 |
-9.92 |
-1.24 |
0 |
|
|
51250 |
12013892 |
1 |
NO3H13C15 |
AB3C13D15 |
-64.94 |
4.32 |
-9.7 |
-1.04 |
0 |
|
|
51251 |
12013893 |
1 |
FNO3H10C14 |
ABC3D10E14 |
-104.3 |
3.69 |
-10.01 |
-1.31 |
0 |
|
|
51252 |
12013894 |
1 |
NSO3H15C16 |
ABC3D15E16 |
-65.84 |
3.21 |
-8.7 |
-1.11 |
0 |
|
|
51253 |
12013895 |
1 |
O2C17H18 |
A2B17C18 |
-49.25 |
4.07 |
-9.45 |
-0.09 |
0 |
|
|
51254 |
12013896 |
1 |
O2C17H18 |
A2B17C18 |
-46.12 |
1.98 |
-9.33 |
0.02 |
0 |
|
|
51255 |
12013898 |
1 |
Cl2N2O6H22C23 |
A2B2C6D22E23 |
-252.08 |
4.95 |
-9.62 |
-1.25 |
0 |
|
|
51256 |
12013899 |
1 |
N2O10C27H32 |
A2B10C27D32 |
-388.78 |
1.49 |
-8.59 |
-0.82 |
0 |
|
|
51257 |
12013900 |
2 |
BrNO3C12H12 |
ABC3D12E12 |
-221.74 |
4.13 |
-9.55 |
-1.2 |
0 |
|
|
51258 |
12013901 |
2 |
ClNO3C12H12 |
ABC3D12E12 |
-247.6 |
1.27 |
-9.81 |
-1.17 |
0 |
|
|
51259 |
12013902 |
2 |
NO5C14H17 |
AB5C14D17 |
-400.88 |
3.2 |
-8.65 |
-0.79 |
0 |
|
|
51260 |
12013903 |
1 |
Cl2O2N4H20C23 |
A2B2C4D20E23 |
-26.35 |
5.34 |
-9.52 |
-1.14 |
0 |
|
|
51261 |
12013904 |
1 |
N4O6C27H30 |
A4B6C27D30 |
-159.17 |
8.77 |
-8.62 |
-0.57 |
0 |
|
|
51262 |
12013905 |
2 |
ClON2H11C12 |
ABC2D11E12 |
-33.2 |
2.55 |
-9.61 |
-1.05 |
0 |
|
|
51263 |
12013906 |
2 |
N2O3C14H16 |
A2B3C14D16 |
-166.38 |
5.36 |
-8.59 |
-0.61 |
0 |
|
|
51264 |
12013907 |
2 |
N2O2H22C27 |
A2B2C22D27 |
26.62 |
3.77 |
-8.76 |
-1.53 |
0 |
|
|
51265 |
12013909 |
1 |
ON2H24C26 |
AB2C24D26 |
31.4 |
1.19 |
-8.52 |
-1.04 |
0 |
|
|
51266 |
12013910 |
1 |
ClON4H23C33 |
ABC4D23E33 |
161.2 |
1.58 |
-8.94 |
-1.26 |
0 |
|
|
51267 |
12013911 |
1 |
ClON4H23C33 |
ABC4D23E33 |
159.05 |
2.14 |
-8.96 |
-1.29 |
0 |
|
|
51268 |
12013912 |
1 |
O3N4H24C34 |
A3B4C24D34 |
86.22 |
6.14 |
-9.03 |
-1.25 |
0 |
|
|
51269 |
12013913 |
1 |
O3N4H24C34 |
A3B4C24D34 |
85.91 |
6.28 |
-9.07 |
-1.44 |
0 |
|
|
51270 |
12013914 |
2 |
ON2H13C17 |
AB2C13D17 |
127.01 |
2.16 |
-8.62 |
-0.97 |
0 |
|
|
51271 |
12013915 |
1 |
ON4H26C34 |
AB4C26D34 |
159.1 |
1.48 |
-8.75 |
-1.07 |
0 |
|
|
51272 |
12013916 |
1 |
BrON4H23C33 |
ABC4D23E33 |
170.61 |
2.37 |
-8.98 |
-1.36 |
0 |
|
|
51273 |
12013918 |
1 |
F2O2N3H11C20 |
A2B2C3D11E20 |
-69.01 |
7.89 |
-8.85 |
-1.47 |
0 |
|
|
51274 |
12013919 |
1 |
F2O2N3H11C20 |
A2B2C3D11E20 |
-93.66 |
6.71 |
-8.65 |
-1.21 |
0 |
|
|
51275 |
12013920 |
1 |
N3O4H23C29 |
A3B4C23D29 |
-28.5 |
5.47 |
-8.41 |
-0.99 |
0 |
|
|
51276 |
12013921 |
1 |
F2N3O4H21C29 |
A2B3C4D21E29 |
-129.21 |
2.37 |
-8.31 |
-1.28 |
0 |
|
|
51277 |
12013922 |
1 |
NO4C15H17 |
AB4C15D17 |
-131.28 |
2.77 |
-8.72 |
-0.97 |
0 |
|
|
51278 |
12013923 |
1 |
NO4H21C25 |
AB4C21D25 |
-61.16 |
3.17 |
-8.65 |
-1.22 |
0 |
|
|
51279 |
12013924 |
1 |
F2N3O4H23C29 |
A2B3C4D23E29 |
-160.67 |
3.38 |
-8.79 |
-0.6 |
0 |
|
|
51280 |
12013925 |
1 |
NO4C17H21 |
AB4C17D21 |
-155.73 |
2.97 |
-8.68 |
0.26 |
0 |
|
|
51281 |
12013926 |
1 |
ClNO4C14H14 |
ABC4D14E14 |
-127.41 |
2.34 |
-8.82 |
-1.34 |
0 |
|
|
51282 |
12013927 |
1 |
BrNO4C14H14 |
ABC4D14E14 |
-116.46 |
2.4 |
-8.82 |
-1.37 |
0 |
|
|
51283 |
12013928 |
1 |
NO4H15C17 |
AB4C15D17 |
-102.77 |
3.07 |
-8.71 |
-1.23 |
0 |
|
|
51284 |
12013929 |
2 |
NS8H14C16 |
AB8C14D16 |
233.07 |
9.08 |
-7.65 |
-1.0 |
0 |
|
|
51285 |
12013930 |
2 |
S8H14C17 |
A8B14C17 |
208.5 |
2.5 |
-7.74 |
-0.84 |
0 |
|
|
51286 |
12013931 |
1 |
NO4H19C20 |
AB4C19D20 |
-72.68 |
3.27 |
-8.55 |
-0.78 |
0 |
|
|
51287 |
12013932 |
1 |
NO4C22H23 |
AB4C22D23 |
-82.33 |
3.6 |
-8.51 |
-0.75 |
0 |
|
|
51288 |
12013933 |
1 |
N2O3H14C19 |
A2B3C14D19 |
16.66 |
2.33 |
-8.88 |
-0.98 |
0 |
|
|
51289 |
12013934 |
1 |
N2O3H14C19 |
A2B3C14D19 |
16.75 |
5.36 |
-8.91 |
-1.03 |
0 |
|
|
51290 |
12013935 |
1 |
NO5H19C21 |
AB5C19D21 |
-108.47 |
3.25 |
-8.85 |
-0.91 |
0 |
|
|
51291 |
12013936 |
1 |
NO4C22H23 |
AB4C22D23 |
-80.4 |
2.38 |
-8.68 |
-0.87 |
0 |
|
|
51292 |
12013937 |
1 |
NO5H21C22 |
AB5C21D22 |
-115.14 |
3.12 |
-8.8 |
-0.73 |
0 |
|
|
51293 |
12013938 |
1 |
NO3H19C24 |
AB3C19D24 |
6.23 |
2.83 |
-8.77 |
-0.81 |
0 |
|
|
51294 |
12013939 |
1 |
NO5H17C20 |
AB5C17D20 |
-100.96 |
2.6 |
-8.74 |
-0.78 |
0 |
|
|
51295 |
12013940 |
1 |
NO5H21C22 |
AB5C21D22 |
-118.45 |
4.07 |
-8.76 |
-0.95 |
0 |
|
|
51296 |
12013941 |
1 |
NO4H17C20 |
AB4C17D20 |
-59.56 |
1.66 |
-8.91 |
-0.86 |
0 |
|
|
51297 |
12013943 |
1 |
N2O4H16C19 |
A2B4C16D19 |
-61.35 |
3.25 |
-8.94 |
-0.92 |
0 |
|
|
51298 |
12013944 |
1 |
ClNO4H18C20 |
ABC4D18E20 |
-80.88 |
4.17 |
-8.67 |
-1.06 |
0 |
|
|
51299 |
12013945 |
1 |
ClNO4C22H22 |
ABC4D22E22 |
-91.49 |
4.53 |
-8.56 |
-1.06 |
0 |
|
|
51300 |
12013946 |
1 |
ClN2O3H13C19 |
AB2C3D13E19 |
8.44 |
1.19 |
-9.02 |
-1.24 |
0 |
|
|
51301 |
12013947 |
1 |
ClN2O3H13C19 |
AB2C3D13E19 |
8.67 |
4.47 |
-9.02 |
-1.3 |
0 |
|
|
51302 |
12013948 |
1 |
ClNO3H18C24 |
ABC3D18E24 |
-2.19 |
3.12 |
-8.86 |
-1.1 |
0 |
|
|
51303 |
12013949 |
1 |
ClNO5H16C20 |
ABC5D16E20 |
-109.37 |
3.25 |
-8.79 |
-1.08 |
0 |
|
|
51304 |
12013950 |
1 |
NO4H17C20 |
AB4C17D20 |
-64.48 |
3.45 |
-8.79 |
-0.95 |
0 |
|
|
51305 |
12013951 |
1 |
ClNO4H16C20 |
ABC4D16E20 |
-67.75 |
3.03 |
-8.98 |
-1.15 |
0 |
|
|
51306 |
12013952 |
1 |
ClNO4H16C20 |
ABC4D16E20 |
-67.99 |
4.29 |
-8.92 |
-1.2 |
0 |
|
|
51307 |
12013953 |
1 |
NO4C21H21 |
AB4C21D21 |
-81.77 |
3.04 |
-8.53 |
-0.73 |
0 |
|
|
51308 |
12013954 |
1 |
NO4C23H25 |
AB4C23D25 |
-91.63 |
5.05 |
-8.44 |
-0.77 |
0 |
|
|
51309 |
12013955 |
1 |
NO4C23H25 |
AB4C23D25 |
-87.82 |
5.08 |
-8.54 |
-0.9 |
0 |
|
|
51310 |
12013956 |
1 |
N2O3H16C20 |
A2B3C16D20 |
7.17 |
2.6 |
-9.08 |
-0.89 |
0 |
|
|
51311 |
12013957 |
1 |
N2O3H16C20 |
A2B3C16D20 |
5.92 |
5.67 |
-8.97 |
-0.98 |
0 |
|
|
51312 |
12013958 |
1 |
NO3H21C25 |
AB3C21D25 |
-2.7 |
2.86 |
-8.73 |
-0.78 |
0 |
|
|
51313 |
12013959 |
1 |
NO5H19C21 |
AB5C19D21 |
-110.23 |
2.7 |
-8.83 |
-0.73 |
0 |
|
|
51314 |
12013960 |
1 |
NO4H19C21 |
AB4C19D21 |
-66.74 |
3.74 |
-8.64 |
-0.89 |
0 |
|
|
51315 |
12013961 |
1 |
NO4H19C21 |
AB4C19D21 |
-68.71 |
4.05 |
-8.74 |
-0.89 |
0 |
|
|
51316 |
12013962 |
6 |
NH4C6 |
AB4C6 |
285.86 |
0.68 |
-9.29 |
-1.82 |
0 |
|
|
51317 |
12013963 |
1 |
NO2C20H25 |
AB2C20D25 |
-83.44 |
2.59 |
-9.25 |
0.07 |
0 |
|
|
51318 |
12013964 |
1 |
O13C83H108 |
A13B83C108 |
-428.02 |
11.56 |
-8.02 |
-1.02 |
0 |
|
|
51320 |
12013967 |
1 |
OSnC16H22 |
ABC16D22 |
13.75 |
2.79 |
-7.97 |
-0.93 |
0 |
|
|
51321 |
12013968 |
1 |
PN2O4C36H41 |
AB2C4D36E41 |
-122.74 |
5.58 |
-8.86 |
-0.71 |
0 |
|
|
51322 |
12013969 |
1 |
OS2C15H24 |
AB2C15D24 |
-50.88 |
3.73 |
-9.01 |
-1.04 |
0 |
|
|
51323 |
12013970 |
1 |
OS2C17H20 |
AB2C17D20 |
-8.19 |
3.77 |
-9.17 |
-1.18 |
0 |
|
|
51324 |
12013971 |
1 |
NO3C18H25 |
AB3C18D25 |
-74.79 |
1.36 |
-8.24 |
-0.05 |
0 |
|
|
51325 |
12013972 |
1 |
NO3C18H27 |
AB3C18D27 |
-75.61 |
1.58 |
-8.18 |
0.09 |
0 |
|
|
51326 |
12013973 |
1 |
NO3C30H33 |
AB3C30D33 |
-22.75 |
2.82 |
-8.35 |
-0.07 |
0 |
|
|
51327 |
12013974 |
1 |
NO3C30H35 |
AB3C30D35 |
-21.69 |
2.73 |
-8.79 |
-0.03 |
0 |
|
|
51328 |
12013975 |
1 |
NO2C20H21 |
AB2C20D21 |
-1.46 |
3.79 |
-8.38 |
-0.6 |
0 |
|
|
51329 |
12013976 |
1 |
PO3H21C24 |
AB3C21D24 |
-94.78 |
2.36 |
-8.53 |
-0.85 |
0 |
|
|
51330 |
12013977 |
1 |
OI2H24C32 |
AB2C24D32 |
99.4 |
2.25 |
-8.75 |
-0.8 |
0 |
|
|
51331 |
12013978 |
2 |
IH12C16 |
AB12C16 |
130.41 |
1.73 |
-8.93 |
-0.79 |
0 |
|
|
51332 |
12013979 |
1 |
OI2H22C31 |
AB2C22D31 |
95.07 |
1.42 |
-8.89 |
-0.83 |
0 |
|
|
51333 |
12013980 |
1 |
I2O3H32C41 |
A2B3C32D41 |
35.55 |
2.2 |
-8.74 |
-0.81 |
0 |
|
|
51334 |
12013981 |
1 |
Si2O3C87H98 |
A2B3C87D98 |
77.7 |
1.15 |
-8.53 |
-0.69 |
0 |