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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13074 |
220728 |
1 |
OC22H28 |
AB22C28 |
-57.5 |
3.32 |
-8.74 |
0.24 |
0 |
|
|
13075 |
220758 |
1 |
SN4H8C11 |
AB4C8D11 |
113.8 |
1.96 |
-9.14 |
-1.28 |
0 |
|
|
13076 |
220766 |
1 |
NO2C9H11 |
AB2C9D11 |
-65.66 |
4.06 |
-8.6 |
0.06 |
0 |
|
|
13077 |
220772 |
1 |
NO6H13C16 |
AB6C13D16 |
-129.29 |
7.74 |
-7.38 |
-2.57 |
0 |
|
|
13078 |
220780 |
1 |
ClN5C7H8 |
AB5C7D8 |
71.43 |
3.36 |
-9.06 |
-0.63 |
0 |
|
|
13079 |
220849 |
1 |
NO3H13C15 |
AB3C13D15 |
-9.5 |
5.25 |
-9.74 |
-1.5 |
0 |
|
|
13080 |
220905 |
1 |
N3C12H13 |
A3B12C13 |
42.58 |
0.9 |
-9.06 |
0.03 |
0 |
|
|
13081 |
220908 |
1 |
SO4N6C15H20 |
AB4C6D15E20 |
-102.06 |
8.47 |
-8.66 |
-0.36 |
0 |
|
|
13082 |
220963 |
1 |
Br2O2C5H6 |
A2B2C5D6 |
-63.11 |
1.68 |
-10.6 |
-0.91 |
0 |
|
|
13083 |
220999 |
1 |
SN2O4C5H6 |
AB2C4D5E6 |
-115.25 |
3.54 |
-10.56 |
-1.12 |
0 |
|
|
13084 |
221004 |
1 |
SCl2O2H6C10 |
AB2C2D6E10 |
-52.05 |
5.23 |
-9.8 |
-1.78 |
0 |
|
|
13085 |
221006 |
1 |
SO3C10H22 |
AB3C10D22 |
-171.63 |
1.86 |
-9.33 |
0.4 |
0 |
|
|
13086 |
221012 |
1 |
Br2O3H8C13 |
A2B3C8D13 |
-70.78 |
3.62 |
-9.32 |
-1.21 |
0 |
|
|
13087 |
221018 |
1 |
NSO2C15H17 |
ABC2D15E17 |
-54.77 |
6.11 |
-8.99 |
-0.45 |
0 |
|
|
13088 |
221031 |
1 |
NC11H17 |
AB11C17 |
-5.58 |
1.48 |
-8.23 |
0.53 |
0 |
|
|
13089 |
221054 |
1 |
O3C12H16 |
A3B12C16 |
-122.21 |
7.33 |
-10.04 |
-0.17 |
0 |
|
|
13090 |
221060 |
1 |
BN3O4H26C27 |
AB3C4D26E27 |
-125.25 |
3.72 |
-8.51 |
-0.32 |
0 |
|
|
13091 |
221090 |
1 |
N5C9H13 |
A5B9C13 |
59.07 |
2.62 |
-8.83 |
-0.31 |
0 |
|
|
13092 |
221093 |
1 |
N5C7H9 |
A5B7C9 |
64.59 |
1.31 |
-8.92 |
-0.27 |
0 |
|
|
13093 |
221094 |
1 |
ON5C6H7 |
AB5C6D7 |
44.02 |
7.76 |
-9.44 |
-1.22 |
0 |
|
|
13094 |
221102 |
1 |
ON5C11H11 |
AB5C11D11 |
66.45 |
4.52 |
-8.58 |
-0.61 |
0 |
|
|
13095 |
221158 |
1 |
N5C6H7 |
A5B6C7 |
76.68 |
3.73 |
-9.06 |
-0.51 |
0 |
|
|
13096 |
221159 |
1 |
N5C7H9 |
A5B7C9 |
78.57 |
3.86 |
-8.91 |
-0.5 |
0 |
|
|
13097 |
221228 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-82.33 |
5.31 |
-9.32 |
-0.11 |
0 |
|
|
13098 |
221229 |
1 |
N3O4C22H33 |
A3B4C22D33 |
-149.32 |
3.3 |
-7.8 |
-1.33 |
0 |
|
|
13099 |
221242 |
1 |
SN2O4H8C12 |
AB2C4D8E12 |
-26.65 |
5.69 |
-9.79 |
-2.0 |
0 |
|
|
13100 |
221293 |
3 |
OC4H6 |
AB4C6 |
-147.81 |
5.98 |
-9.93 |
-0.26 |
0 |
|
|
13101 |
221305 |
1 |
OC17H24 |
AB17C24 |
-30.65 |
2.94 |
-9.66 |
-0.45 |
0 |
|
|
13102 |
221319 |
1 |
BrNO5H16C18 |
ABC5D16E18 |
-66.84 |
4.64 |
-9.96 |
-1.23 |
0 |
|
|
13103 |
221330 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
6.65 |
4.97 |
-9.09 |
-1.94 |
0 |
|
|
13104 |
221331 |
1 |
NO3C6H13 |
AB3C6D13 |
-157.44 |
1.68 |
-9.87 |
0.79 |
0 |
|
|
13105 |
221336 |
1 |
NC10H23 |
AB10C23 |
-39.38 |
1.45 |
-8.39 |
2.94 |
0 |
|
|
13106 |
221373 |
1 |
O4C19H32 |
A4B19C32 |
-214.75 |
1.82 |
-10.91 |
-1.02 |
0 |
|
|
13107 |
221417 |
1 |
O2C15H22 |
A2B15C22 |
-102.47 |
1.77 |
-9.41 |
0.33 |
0 |
|
|
13108 |
221422 |
1 |
ClON3H14C19 |
ABC3D14E19 |
70.36 |
2.94 |
-8.79 |
-1.12 |
0 |
|
|
13109 |
221536 |
1 |
NOC22H37 |
ABC22D37 |
-77.91 |
2.47 |
-8.37 |
0.33 |
0 |
|
|
13110 |
221613 |
1 |
NOSC9H9 |
ABCD9E9 |
-0.3 |
4.74 |
-9.26 |
-0.68 |
0 |
|
|
13111 |
221635 |
2 |
OC5H10 |
AB5C10 |
-134.37 |
2.62 |
-9.78 |
1.95 |
0 |
|
|
13112 |
221636 |
1 |
O3C10H20 |
A3B10C20 |
-165.73 |
3.03 |
-9.92 |
0.78 |
0 |
|
|
13113 |
221642 |
1 |
O3C11H14 |
A3B11C14 |
-117.25 |
2.64 |
-8.95 |
0.2 |
0 |
|
|
13114 |
221652 |
1 |
O4C11H22 |
A4B11C22 |
-201.21 |
1.59 |
-9.5 |
0.76 |
0 |
|
|
13115 |
221672 |
1 |
O3C13H14 |
A3B13C14 |
-73.22 |
3.9 |
-9.09 |
-0.75 |
0 |
|
|
13116 |
221697 |
2 |
OC7H13 |
AB7C13 |
-145.48 |
1.53 |
-10.63 |
0.92 |
0 |
|
|
13117 |
221698 |
2 |
OC7H13 |
AB7C13 |
-139.93 |
2.08 |
-9.57 |
2.02 |
0 |
|
|
13118 |
221705 |
1 |
O2C15H20 |
A2B15C20 |
-95.73 |
2.18 |
-9.54 |
0.15 |
0 |
|
|
13119 |
221706 |
1 |
O3C15H22 |
A3B15C22 |
-137.63 |
2.14 |
-8.87 |
0.28 |
0 |
|
|
13120 |
221722 |
2 |
O2C8H15 |
A2B8C15 |
-239.72 |
3.37 |
-10.65 |
0.75 |
0 |
|
|
13121 |
221724 |
1 |
O2C17H26 |
A2B17C26 |
-116.4 |
2.03 |
-9.53 |
0.16 |
0 |
|
|
13122 |
221731 |
2 |
O2C9H14 |
A2B9C14 |
-184.85 |
0.89 |
-8.88 |
0.24 |
0 |
|
|
13123 |
221736 |
1 |
OC10H12 |
AB10C12 |
-21.25 |
1.74 |
-8.81 |
0.18 |
0 |
|
|
13124 |
221751 |
1 |
O3C15H22 |
A3B15C22 |
-139.8 |
2.39 |
-8.55 |
0.49 |
0 |
|
|
13125 |
221752 |
1 |
O2C15H26 |
A2B15C26 |
-142.68 |
2.22 |
-10.37 |
0.98 |
0 |
|
|
13126 |
221763 |
1 |
O5C9H18 |
A5B9C18 |
-228.99 |
3.23 |
-10.1 |
-0.16 |
0 |
|
|
13127 |
221783 |
1 |
OC13H18 |
AB13C18 |
-33.69 |
2.28 |
-9.23 |
0.32 |
0 |
|
|
13128 |
221803 |
1 |
NOCl2C11H13 |
ABC2D11E13 |
-56.64 |
3.55 |
-9.86 |
-0.89 |
0 |
|
|
13129 |
221837 |
1 |
NOC13H19 |
ABC13D19 |
-47.93 |
3.53 |
-9.16 |
-0.06 |
0 |
|
|
13130 |
221854 |
1 |
N2O5H10C16 |
A2B5C10D16 |
26.65 |
8.59 |
-9.64 |
-1.84 |
0 |
|
|
13131 |
221861 |
1 |
NO4C17H17 |
AB4C17D17 |
-53.4 |
4.97 |
-9.36 |
-1.98 |
0 |
|
|
13132 |
221864 |
1 |
NO2C19H23 |
AB2C19D23 |
-80.55 |
4.36 |
-8.58 |
-0.56 |
0 |
|
|
13133 |
221865 |
1 |
N3O4H17C20 |
A3B4C17D20 |
66.21 |
9.66 |
-9.54 |
-1.44 |
0 |
|
|
13134 |
221874 |
1 |
ClN2O4H19C20 |
AB2C4D19E20 |
-108.88 |
1.69 |
-9.43 |
-0.77 |
0 |
|
|
13135 |
221875 |
1 |
BrClO2C4H6 |
ABC2D4E6 |
-100.16 |
2.75 |
-10.75 |
-0.41 |
0 |
|
|
13136 |
221900 |
1 |
ClO2C11H13 |
AB2C11D13 |
-84.45 |
3.02 |
-9.52 |
-0.2 |
0 |
|
|
13137 |
221901 |
1 |
ClO2C11H13 |
AB2C11D13 |
-83.13 |
2.77 |
-9.43 |
-0.13 |
0 |
|
|
13138 |
221902 |
1 |
ClO2C11H13 |
AB2C11D13 |
-82.38 |
4.42 |
-9.46 |
-0.2 |
0 |
|
|
13139 |
221919 |
1 |
Cl2O2C13H16 |
A2B2C13D16 |
-104.5 |
3.44 |
-9.5 |
-0.5 |
0 |
|
|
13140 |
221926 |
1 |
O2C13H18 |
A2B13C18 |
-90.52 |
1.6 |
-9.17 |
0.52 |
0 |
|
|
13141 |
221957 |
2 |
OC9H16 |
AB9C16 |
-158.39 |
2.33 |
-10.54 |
0.93 |
0 |
|
|
13142 |
221958 |
1 |
O3C18H34 |
A3B18C34 |
-199.26 |
2.85 |
-9.85 |
0.67 |
0 |
|
|
13143 |
221959 |
1 |
O2C19H28 |
A2B19C28 |
-111.83 |
1.45 |
-9.61 |
0.08 |
0 |
|
|
13144 |
221962 |
1 |
NO2C6H13 |
AB2C6D13 |
-110.18 |
3.41 |
-9.83 |
1.04 |
0 |
|
|
13145 |
221970 |
1 |
ClOC9H11 |
ABC9D11 |
-45.92 |
1.99 |
-9.54 |
-0.16 |
0 |
|
|
13146 |
221992 |
1 |
ClO2C12H15 |
AB2C12D15 |
-89.94 |
2.57 |
-9.59 |
-0.28 |
0 |
|
|
13147 |
221996 |
1 |
ON2C12H18 |
AB2C12D18 |
-25.76 |
2.93 |
-8.79 |
0.16 |
0 |
|
|
13148 |
221998 |
1 |
NO4C12H23 |
AB4C12D23 |
-137.79 |
6.48 |
-10.45 |
-0.36 |
0 |
|
|
13149 |
222079 |
1 |
N3O4C6H7 |
A3B4C6D7 |
-92.65 |
6.98 |
-9.02 |
-1.2 |
0 |
|
|
13150 |
222126 |
1 |
ClO3C21H25 |
AB3C21D25 |
-130.92 |
1.63 |
-9.05 |
-1.08 |
0 |
|
|
13151 |
222211 |
1 |
Br2O4C13H22 |
A2B4C13D22 |
-214.78 |
2.17 |
-10.75 |
-0.87 |
0 |
|
|
13152 |
222214 |
1 |
O5C14H26 |
A5B14C26 |
-261.14 |
1.28 |
-10.77 |
-0.09 |
0 |
|
|
13153 |
222215 |
1 |
O6C15H28 |
A6B15C28 |
-296.11 |
2.41 |
-9.98 |
-0.18 |
0 |
|
|
13154 |
222221 |
1 |
N3O3C5H11 |
A3B3C5D11 |
-125.19 |
4.77 |
-9.92 |
-0.01 |
0 |
|
|
13155 |
222250 |
1 |
ClN5C6H6 |
AB5C6D6 |
71.49 |
3.16 |
-9.23 |
-0.7 |
0 |
|
|
13156 |
222254 |
1 |
BrClON4H8C12 |
ABCD4E8F12 |
71.54 |
1.77 |
-9.64 |
-1.09 |
0 |
|
|
13157 |
222270 |
1 |
NO3C20H23 |
AB3C20D23 |
-74.54 |
5.2 |
-8.69 |
-0.32 |
0 |
|
|
13158 |
222299 |
1 |
S2C3H4N4 |
A2B3C4D4 |
67.05 |
2.83 |
-9.66 |
-1.23 |
0 |
|
|
13159 |
222300 |
2 |
C2N3H4 |
A2B3C4 |
56.98 |
4.29 |
-9.17 |
-0.18 |
0 |
|
|
13160 |
222307 |
1 |
SO6C14H26 |
AB6C14D26 |
-304.73 |
5.95 |
-10.77 |
0.3 |
0 |
|
|
13161 |
222308 |
2 |
NC7H14 |
AB7C14 |
-20.63 |
4.69 |
-9.6 |
1.02 |
0 |
|
|
13162 |
222334 |
1 |
ClO2C11H13 |
AB2C11D13 |
-86.16 |
2.98 |
-9.79 |
-0.8 |
0 |
|
|
13163 |
222335 |
1 |
ClO2C11H13 |
AB2C11D13 |
-91.29 |
2.25 |
-9.93 |
-0.87 |
0 |
|
|
13164 |
222337 |
1 |
ClO3C11H13 |
AB3C11D13 |
-117.77 |
3.51 |
-9.08 |
-0.06 |
0 |
|
|
13165 |
222338 |
1 |
BrO2C11H21 |
AB2C11D21 |
-135.72 |
2.8 |
-10.67 |
-0.76 |
0 |
|
|
13166 |
222343 |
2 |
OC6H7 |
AB6C7 |
-76.15 |
2.43 |
-10.02 |
-0.54 |
0 |
|
|
13167 |
222368 |
1 |
ClO2C9H9 |
AB2C9D9 |
-74.53 |
3.36 |
-9.41 |
-0.2 |
0 |
|
|
13168 |
222370 |
2 |
ClOC5H5 |
ABC5D5 |
-89.74 |
3.23 |
-9.81 |
-0.81 |
0 |
|
|
13169 |
222385 |
1 |
ClO2C13H15 |
AB2C13D15 |
-92.19 |
2.33 |
-9.92 |
-0.86 |
0 |
|
|
13170 |
222389 |
1 |
ClO3C13H17 |
AB3C13D17 |
-130.95 |
2.6 |
-9.97 |
-1.02 |
0 |
|
|
13171 |
222394 |
1 |
ClO2C14H17 |
AB2C14D17 |
-91.63 |
2.44 |
-9.35 |
-0.13 |
0 |
|
|
13172 |
222395 |
1 |
ClO2C14H19 |
AB2C14D19 |
-105.16 |
2.22 |
-9.92 |
-0.86 |
0 |
|
|
13173 |
222410 |
2 |
OC8H14 |
AB8C14 |
-149.35 |
2.1 |
-10.52 |
1.01 |
0 |