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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
28123 |
825728 |
1 |
SN4C8H8 |
AB4C8D8 |
75.58 |
3.4 |
-8.39 |
-0.53 |
0 |
|
|
28124 |
825732 |
1 |
NO3C14H17 |
AB3C14D17 |
-105.82 |
2.49 |
-8.1 |
-0.13 |
0 |
|
|
28125 |
825744 |
2 |
N2H9C11 |
A2B9C11 |
162.56 |
9.79 |
-8.63 |
-2.42 |
0 |
|
|
28126 |
825748 |
1 |
NSO2C14H17 |
ABC2D14E17 |
-47.59 |
2.25 |
-8.65 |
-0.49 |
0 |
|
|
28127 |
825752 |
2 |
OC6H9 |
AB6C9 |
-112.69 |
1.06 |
-9.42 |
1.77 |
0 |
|
|
28128 |
825754 |
1 |
ClN2O3C15H15 |
AB2C3D15E15 |
-52.13 |
3.47 |
-8.99 |
-0.63 |
0 |
|
|
28129 |
825760 |
1 |
ClN2S2H3C5 |
AB2C2D3E5 |
67.21 |
4.9 |
-9.23 |
-1.68 |
0 |
|
|
28130 |
825768 |
1 |
NO3C11H13 |
AB3C11D13 |
-113.84 |
7.19 |
-9.03 |
-0.88 |
0 |
|
|
28131 |
825769 |
1 |
ClO2N3C16H16 |
AB2C3D16E16 |
-11.3 |
1.63 |
-9.14 |
-0.78 |
0 |
|
|
28132 |
825777 |
1 |
Cl2H16C17 |
A2B16C17 |
35.07 |
2.15 |
-9.53 |
0.15 |
0 |
|
|
28133 |
825783 |
1 |
BrO2C10H17 |
AB2C10D17 |
-124.67 |
3.35 |
-10.6 |
-0.38 |
0 |
|
|
28134 |
825784 |
1 |
BrO2C10H17 |
AB2C10D17 |
-124.7 |
6.01 |
-10.39 |
-0.15 |
0 |
|
|
28135 |
825795 |
1 |
O2C15H22 |
A2B15C22 |
-118.13 |
5.55 |
-9.27 |
-0.13 |
0 |
|
|
28136 |
825797 |
1 |
BrO2H7C10 |
AB2C7D10 |
-0.7 |
1.84 |
-9.85 |
-1.24 |
0 |
|
|
28137 |
825798 |
1 |
BrO2C13H13 |
AB2C13D13 |
-26.46 |
2.22 |
-9.73 |
-1.03 |
0 |
|
|
28138 |
825800 |
1 |
ClO2H7C10 |
AB2C7D10 |
-12.91 |
1.88 |
-9.78 |
-1.21 |
0 |
|
|
28139 |
825802 |
1 |
O3C17H20 |
A3B17C20 |
-95.1 |
1.24 |
-9.04 |
-0.05 |
0 |
|
|
28140 |
825808 |
1 |
BrNO2C8H8 |
ABC2D8E8 |
1.96 |
3.83 |
-10.01 |
-1.51 |
0 |
|
|
28141 |
825814 |
1 |
NO3H7C10 |
AB3C7D10 |
-8.06 |
3.79 |
-9.28 |
-1.67 |
0 |
|
|
28142 |
825824 |
1 |
NO6C17H19 |
AB6C17D19 |
-113.81 |
2.58 |
-8.74 |
-0.5 |
0 |
|
|
28143 |
825825 |
1 |
NO6C17H19 |
AB6C17D19 |
-116.37 |
7.34 |
-8.86 |
-0.48 |
0 |
|
|
28144 |
825826 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-88.62 |
7.11 |
-8.49 |
-0.63 |
0 |
|
|
28145 |
825827 |
2 |
NO2C9H10 |
AB2C9D10 |
-96.75 |
2.38 |
-8.71 |
-0.71 |
0 |
|
|
28146 |
825834 |
1 |
SN3O5C13H13 |
AB3C5D13E13 |
-80.39 |
9.1 |
-9.18 |
-1.21 |
0 |
|
|
28147 |
825850 |
1 |
NO5C17H21 |
AB5C17D21 |
-149.83 |
6.07 |
-9.61 |
-1.43 |
0 |
|
|
28148 |
825854 |
1 |
O3C11H18 |
A3B11C18 |
-156.24 |
6.23 |
-10.46 |
0.63 |
0 |
|
|
28149 |
825855 |
1 |
NO4H11C15 |
AB4C11D15 |
-23.17 |
2.93 |
-9.96 |
-1.76 |
0 |
|
|
28150 |
825858 |
1 |
O4H18C19 |
A4B18C19 |
-128.97 |
0.96 |
-10.0 |
-0.63 |
0 |
|
|
28151 |
825880 |
1 |
OSN2H16C17 |
ABC2D16E17 |
2.27 |
4.01 |
-8.43 |
-0.8 |
0 |
|
|
28152 |
825895 |
2 |
NO2H4C5 |
AB2C4D5 |
4.56 |
3.94 |
-8.85 |
-1.32 |
0 |
|
|
28153 |
825897 |
1 |
O8C11H16 |
A8B11C16 |
-345.1 |
4.32 |
-10.66 |
-0.11 |
0 |
|
|
28154 |
825903 |
1 |
NOH13C14 |
ABC13D14 |
22.66 |
5.01 |
-8.37 |
-0.33 |
0 |
|
|
28155 |
825909 |
1 |
ON2C19H24 |
AB2C19D24 |
-8.17 |
1.99 |
-8.31 |
0.09 |
0 |
|
|
28156 |
825914 |
1 |
ON2C19H24 |
AB2C19D24 |
-11.1 |
5.52 |
-9.07 |
-0.51 |
0 |
|
|
28157 |
825917 |
1 |
NSO4C11H15 |
ABC4D11E15 |
-81.89 |
5.16 |
-10.51 |
-1.8 |
0 |
|
|
28158 |
825920 |
1 |
NSO4C10H11 |
ABC4D10E11 |
-120.84 |
7.82 |
-9.67 |
-0.89 |
0 |
|
|
28159 |
825921 |
1 |
NO3H11C13 |
AB3C11D13 |
7.82 |
5.02 |
-8.97 |
-1.38 |
0 |
|
|
28160 |
825926 |
1 |
ON2H12C14 |
AB2C12D14 |
19.21 |
1.33 |
-8.8 |
-0.76 |
0 |
|
|
28161 |
825929 |
1 |
NSO2H15C20 |
ABC2D15E20 |
9.91 |
4.83 |
-8.64 |
-1.2 |
0 |
|
|
28162 |
825932 |
1 |
NOC16H17 |
ABC16D17 |
7.36 |
2.47 |
-8.93 |
-0.39 |
0 |
|
|
28163 |
825935 |
1 |
N2O3H10C12 |
A2B3C10D12 |
-17.02 |
9.74 |
-9.08 |
-1.5 |
0 |
|
|
28164 |
825938 |
1 |
BrNO2C8H8 |
ABC2D8E8 |
1.77 |
6.48 |
-10.06 |
-0.86 |
0 |
|
|
28165 |
825939 |
1 |
N2O3H10C12 |
A2B3C10D12 |
-15.9 |
5.41 |
-9.06 |
-1.53 |
0 |
|
|
28166 |
825948 |
1 |
NSO2C17H21 |
ABC2D17E21 |
-58.53 |
5.46 |
-9.21 |
-0.34 |
0 |
|
|
28167 |
825956 |
1 |
NO5C11H13 |
AB5C11D13 |
-116.63 |
5.2 |
-9.79 |
-1.66 |
0 |
|
|
28168 |
825967 |
3 |
NC5H9 |
AB5C9 |
-11.55 |
1.23 |
-8.32 |
2.7 |
0 |
|
|
28169 |
825970 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-159.12 |
4.18 |
-9.11 |
-0.52 |
0 |
|
|
28170 |
825978 |
2 |
NOC10H12 |
ABC10D12 |
-27.41 |
4.36 |
-8.74 |
-0.66 |
0 |
|
|
28171 |
825981 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-59.99 |
5.89 |
-8.5 |
-0.55 |
0 |
|
|
28172 |
825983 |
2 |
NOC10H12 |
ABC10D12 |
-28.62 |
5.41 |
-8.82 |
-0.68 |
0 |
|
|
28173 |
825986 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-59.88 |
6.03 |
-8.52 |
-0.56 |
0 |
|
|
28174 |
826003 |
1 |
NO4H17C18 |
AB4C17D18 |
-121.18 |
1.99 |
-8.89 |
-0.19 |
0 |
|
|
28175 |
826014 |
1 |
NO2C13H13 |
AB2C13D13 |
-69.7 |
4.0 |
-8.93 |
-0.61 |
0 |
|
|
28176 |
826015 |
1 |
NO4C13H15 |
AB4C13D15 |
-152.11 |
1.32 |
-8.59 |
-0.1 |
0 |
|
|
28177 |
826027 |
1 |
NO3C14H17 |
AB3C14D17 |
-123.11 |
2.88 |
-8.98 |
-0.1 |
0 |
|
|
28178 |
826029 |
1 |
NO3C15H17 |
AB3C15D17 |
-115.41 |
4.42 |
-8.54 |
-0.56 |
0 |
|
|
28179 |
826080 |
1 |
O2C11H20 |
A2B11C20 |
-130.77 |
5.4 |
-10.46 |
0.75 |
0 |
|
|
28180 |
826087 |
1 |
O4C9H14 |
A4B9C14 |
-199.03 |
5.42 |
-10.87 |
0.27 |
0 |
|
|
28181 |
826088 |
1 |
BrNCl2H12C14 |
ABC2D12E14 |
21.57 |
2.28 |
-9.39 |
-1.12 |
0 |
|
|
28182 |
826090 |
1 |
O2C13H18 |
A2B13C18 |
-96.05 |
5.63 |
-9.62 |
-0.13 |
0 |
|
|
28183 |
826092 |
1 |
O2C13H18 |
A2B13C18 |
-96.07 |
5.62 |
-9.62 |
-0.12 |
0 |
|
|
28184 |
826095 |
1 |
NCl2O2C17H17 |
AB2C2D17E17 |
-73.23 |
3.06 |
-9.59 |
-1.23 |
0 |
|
|
28185 |
826100 |
1 |
NCl2C15H15 |
AB2C15D15 |
9.33 |
2.17 |
-9.02 |
-0.76 |
0 |
|
|
28186 |
826104 |
2 |
NOC6H9 |
ABC6D9 |
-1.36 |
5.46 |
-9.31 |
-1.19 |
0 |
|
|
28187 |
826108 |
1 |
BrNOC13H14 |
ABCD13E14 |
-25.77 |
7.07 |
-8.78 |
-0.65 |
0 |
|
|
28188 |
826111 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-73.96 |
9.11 |
-9.07 |
-0.6 |
0 |
|
|
28189 |
826142 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-50.97 |
2.72 |
-8.33 |
-0.49 |
0 |
|
|
28190 |
826143 |
4 |
OC4H6 |
AB4C6 |
-164.86 |
1.64 |
-8.52 |
0.32 |
0 |
|
|
28191 |
826144 |
4 |
OC4H6 |
AB4C6 |
-162.06 |
1.61 |
-8.51 |
0.35 |
0 |
|
|
28192 |
826153 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-44.81 |
5.13 |
-8.62 |
-0.65 |
0 |
|
|
28193 |
826158 |
1 |
O2C15H22 |
A2B15C22 |
-95.47 |
0.98 |
-8.6 |
0.4 |
0 |
|
|
28194 |
826159 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-46.4 |
5.99 |
-8.57 |
-0.6 |
0 |
|
|
28195 |
826166 |
1 |
O3C16H24 |
A3B16C24 |
-120.28 |
2.37 |
-8.52 |
0.41 |
0 |
|
|
28196 |
826172 |
1 |
NO2C14H19 |
AB2C14D19 |
-93.03 |
2.48 |
-8.89 |
0.11 |
0 |
|
|
28197 |
826196 |
1 |
NO3C11H15 |
AB3C11D15 |
-59.43 |
6.44 |
-9.64 |
-1.15 |
0 |
|
|
28198 |
826204 |
1 |
NO2C11H15 |
AB2C11D15 |
-74.02 |
6.41 |
-9.16 |
-0.51 |
0 |
|
|
28199 |
826230 |
1 |
SN6C8H12 |
AB6C8D12 |
91.05 |
4.39 |
-9.1 |
-0.55 |
0 |
|
|
28200 |
826237 |
1 |
NO2H15C17 |
AB2C15D17 |
-7.16 |
4.21 |
-8.43 |
-0.55 |
0 |
|
|
28201 |
826239 |
1 |
ClNOC19H22 |
ABCD19E22 |
-11.21 |
4.66 |
-9.04 |
0.1 |
0 |
|
|
28202 |
826253 |
1 |
NO2C21H25 |
AB2C21D25 |
-41.64 |
1.55 |
-8.57 |
-0.31 |
0 |
|
|
28203 |
826254 |
1 |
NO2C12H13 |
AB2C12D13 |
-71.03 |
7.63 |
-8.6 |
-0.31 |
0 |
|
|
28204 |
826265 |
1 |
ClON2C11H11 |
ABC2D11E11 |
-11.58 |
2.57 |
-9.14 |
-0.9 |
0 |
|
|
28205 |
826268 |
1 |
ClON2H7C9 |
ABC2D7E9 |
-5.05 |
2.39 |
-9.32 |
-1.09 |
0 |
|
|
28206 |
826273 |
2 |
NC5H10 |
AB5C10 |
-16.64 |
2.86 |
-7.96 |
2.99 |
0 |
|
|
28207 |
826282 |
1 |
NO5C11H13 |
AB5C11D13 |
-114.87 |
8.53 |
-9.84 |
-1.16 |
0 |
|
|
28208 |
826283 |
1 |
NO3C9H11 |
AB3C9D11 |
-115.21 |
6.03 |
-9.27 |
-0.32 |
0 |
|
|
28209 |
826312 |
1 |
ClN2O2H9C11 |
AB2C2D9E11 |
-32.82 |
2.78 |
-9.15 |
-0.75 |
0 |
|
|
28210 |
826315 |
1 |
ClN2O2H11C12 |
AB2C2D11E12 |
-41.84 |
2.81 |
-8.91 |
-0.49 |
0 |
|
|
28211 |
826317 |
1 |
N3O4H11C12 |
A3B4C11D12 |
-37.92 |
9.43 |
-9.71 |
-1.49 |
0 |
|
|
28212 |
826324 |
1 |
ClON2C11H11 |
ABC2D11E11 |
-0.78 |
5.16 |
-8.82 |
-0.4 |
0 |
|
|
28213 |
826326 |
1 |
SN5C12H13 |
AB5C12D13 |
106.79 |
4.17 |
-8.07 |
-0.94 |
0 |
|
|
28214 |
826329 |
2 |
NC5H6 |
AB5C6 |
52.62 |
5.84 |
-9.13 |
-0.51 |
0 |
|
|
28215 |
826332 |
1 |
NSC15H17 |
ABC15D17 |
35.32 |
1.24 |
-8.62 |
-0.25 |
0 |
|
|
28216 |
826341 |
1 |
ClOSH15C16 |
ABCD15E16 |
-7.74 |
2.74 |
-8.58 |
-0.37 |
0 |
|
|
28217 |
826342 |
1 |
NOSC16H19 |
ABCD16E19 |
8.47 |
2.85 |
-8.23 |
-0.07 |
0 |
|
|
28218 |
826368 |
1 |
BrOSC17H17 |
ABCD17E17 |
-16.01 |
3.22 |
-8.63 |
-0.45 |
0 |
|
|
28219 |
826372 |
1 |
FOSH15C17 |
ABCD15E17 |
-51.76 |
3.09 |
-8.93 |
-0.86 |
0 |
|
|
28220 |
826382 |
1 |
NOC19H23 |
ABC19D23 |
0.09 |
2.82 |
-8.81 |
0.04 |
0 |
|
|
28221 |
826385 |
1 |
NSC14H15 |
ABC14D15 |
43.64 |
1.56 |
-8.49 |
-0.3 |
0 |
|
|
28222 |
826390 |
1 |
SN2O3C16H20 |
AB2C3D16E20 |
-103.31 |
4.44 |
-8.37 |
-0.77 |
0 |