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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76152 |
48424512 |
2 |
NO2C11H14 |
AB2C11D14 |
-135.76 |
2.9 |
-8.58 |
0.3 |
0 |
|
|
76153 |
48424513 |
1 |
NO3C18H27 |
AB3C18D27 |
-106.18 |
3.6 |
-8.73 |
0.16 |
0 |
|
|
76154 |
48424514 |
1 |
NO3C18H27 |
AB3C18D27 |
-117.09 |
3.7 |
-8.47 |
0.33 |
0 |
|
|
76155 |
48424515 |
2 |
NO2C11H14 |
AB2C11D14 |
-149.53 |
4.08 |
-8.84 |
0.12 |
0 |
|
|
76156 |
48424516 |
1 |
NO3C18H27 |
AB3C18D27 |
-113.54 |
2.34 |
-8.84 |
0.08 |
0 |
|
|
76157 |
48424518 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-41.44 |
2.22 |
-9.24 |
-1.01 |
0 |
|
|
76158 |
48424520 |
1 |
FN3O4C20H22 |
AB3C4D20E22 |
-182.41 |
2.49 |
-9.53 |
-0.56 |
0 |
|
|
76159 |
48424521 |
1 |
FN2O4C20H23 |
AB2C4D20E23 |
-184.52 |
0.37 |
-9.07 |
-0.28 |
0 |
|
|
76160 |
48424523 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-146.35 |
5.31 |
-9.52 |
-0.76 |
0 |
|
|
76161 |
48424526 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-72.23 |
3.08 |
-8.67 |
0.33 |
0 |
|
|
76162 |
48424529 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-176.35 |
3.4 |
-9.07 |
-0.05 |
0 |
|
|
76163 |
48424530 |
1 |
NO4C17H25 |
AB4C17D25 |
-142.22 |
2.65 |
-8.97 |
0.08 |
0 |
|
|
76164 |
48424531 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-86.12 |
1.43 |
-8.28 |
0.45 |
0 |
|
|
76165 |
48424532 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-100.74 |
3.69 |
-8.5 |
1.04 |
0 |
|
|
76166 |
48424533 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-126.77 |
2.31 |
-8.59 |
0.12 |
0 |
|
|
76167 |
48424534 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-89.07 |
3.7 |
-8.96 |
1.2 |
0 |
|
|
76168 |
48424535 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-112.27 |
1.98 |
-9.39 |
0.26 |
0 |
|
|
76169 |
48424536 |
1 |
NO3C13H19 |
AB3C13D19 |
-84.13 |
2.92 |
-9.39 |
0.26 |
0 |
|
|
76170 |
48424537 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-26.61 |
4.63 |
-9.34 |
-0.22 |
0 |
|
|
76171 |
48424538 |
2 |
NO2C9H13 |
AB2C9D13 |
-166.29 |
5.94 |
-9.35 |
0.26 |
0 |
|
|
76172 |
48424539 |
1 |
NO3C14H25 |
AB3C14D25 |
-131.7 |
4.03 |
-9.19 |
1.01 |
0 |
|
|
76173 |
48424540 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-182.75 |
4.14 |
-8.39 |
-0.23 |
0 |
|
|
76174 |
48424544 |
3 |
NOC6H9 |
ABC6D9 |
-131.86 |
1.18 |
-8.64 |
0.06 |
0 |
|
|
76175 |
48424546 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-217.44 |
2.28 |
-9.44 |
0.12 |
0 |
|
|
76176 |
48424547 |
1 |
NO4C15H25 |
AB4C15D25 |
-181.35 |
4.09 |
-9.38 |
0.67 |
0 |
|
|
76177 |
48424548 |
1 |
NO3C15H27 |
AB3C15D27 |
-129.17 |
4.98 |
-9.47 |
0.75 |
0 |
|
|
76178 |
48424550 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-61.61 |
2.83 |
-8.72 |
-0.74 |
0 |
|
|
76179 |
48424552 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-113.39 |
3.14 |
-9.4 |
-0.02 |
0 |
|
|
76180 |
48424553 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-152.51 |
6.5 |
-8.78 |
-0.06 |
0 |
|
|
76181 |
48424556 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-97.84 |
4.63 |
-9.16 |
-1.0 |
0 |
|
|
76182 |
48424557 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-137.61 |
4.43 |
-9.21 |
-0.12 |
0 |
|
|
76183 |
48424558 |
2 |
NO2C9H12 |
AB2C9D12 |
-147.86 |
6.2 |
-8.25 |
-0.05 |
0 |
|
|
76184 |
48424560 |
1 |
NO2C14H25 |
AB2C14D25 |
-94.77 |
4.1 |
-9.27 |
0.91 |
0 |
|
|
76185 |
48424561 |
1 |
N2O3C18H32 |
A2B3C18D32 |
-130.16 |
3.59 |
-9.03 |
1.0 |
0 |
|
|
76186 |
48424562 |
1 |
NO2C15H25 |
AB2C15D25 |
-72.75 |
4.71 |
-9.3 |
0.73 |
0 |
|
|
76187 |
48424563 |
1 |
SN3O5C16H19 |
AB3C5D16E19 |
-198.84 |
2.88 |
-9.48 |
-1.04 |
0 |
|
|
76188 |
48424564 |
2 |
NO2C10H12 |
AB2C10D12 |
-140.69 |
4.46 |
-9.05 |
-0.06 |
0 |
|
|
76189 |
48424566 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-46.5 |
4.9 |
-9.14 |
-0.97 |
0 |
|
|
76190 |
48424567 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-148.42 |
3.58 |
-8.7 |
0.12 |
0 |
|
|
76191 |
48424568 |
1 |
NO3C17H25 |
AB3C17D25 |
-111.44 |
2.25 |
-8.71 |
0.46 |
0 |
|
|
76192 |
48424571 |
1 |
O4N5C20H23 |
A4B5C20D23 |
-95.02 |
4.91 |
-8.78 |
-0.81 |
0 |
|
|
76193 |
48424572 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-97.66 |
1.0 |
-8.26 |
0.21 |
0 |
|
|
76194 |
48424573 |
2 |
NOC9H14 |
ABC9D14 |
-65.1 |
2.8 |
-8.23 |
0.46 |
0 |
|
|
76195 |
48424575 |
1 |
FO2N5C22H28 |
AB2C5D22E28 |
-46.15 |
5.38 |
-8.42 |
-0.26 |
0 |
|
|
76196 |
48424577 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-93.32 |
4.81 |
-8.46 |
1.0 |
0 |
|
|
76197 |
48424578 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-258.55 |
2.98 |
-9.5 |
-0.56 |
0 |
|
|
76198 |
48424579 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-222.91 |
5.51 |
-9.81 |
-0.55 |
0 |
|
|
76199 |
48424580 |
1 |
NCl2O2C15H19 |
AB2C2D15E19 |
-80.22 |
4.38 |
-9.59 |
-0.54 |
0 |
|
|
76200 |
48424581 |
1 |
NO4C12H21 |
AB4C12D21 |
-182.13 |
2.19 |
-9.82 |
0.51 |
0 |
|
|
76201 |
48424582 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-139.85 |
3.37 |
-8.55 |
-0.06 |
0 |
|
|
76202 |
48424583 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-95.6 |
3.49 |
-8.06 |
0.02 |
0 |
|
|
76203 |
48424588 |
2 |
NOC6H11 |
ABC6D11 |
-84.13 |
1.54 |
-8.93 |
0.96 |
0 |
|
|
76204 |
48424590 |
1 |
NSO4C10H19 |
ABC4D10E19 |
-168.39 |
5.63 |
-9.96 |
0.75 |
0 |
|
|
76205 |
48424591 |
1 |
N2O4C21H38 |
A2B4C21D38 |
-216.84 |
4.07 |
-9.17 |
0.75 |
0 |
|
|
76206 |
48424592 |
2 |
NOC9H17 |
ABC9D17 |
-113.59 |
3.74 |
-8.66 |
1.3 |
0 |
|
|
76207 |
48424594 |
1 |
NSO2C14H21 |
ABC2D14E21 |
-70.44 |
3.56 |
-9.18 |
-0.17 |
0 |
|
|
76208 |
48424595 |
1 |
BrFN2O3C18H18 |
ABC2D3E18F18 |
-144.07 |
2.59 |
-9.42 |
-0.5 |
0 |
|
|
76209 |
48424596 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-68.75 |
7.63 |
-10.05 |
-1.32 |
0 |
|
|
76210 |
48424598 |
2 |
NOC9H13 |
ABC9D13 |
-63.1 |
2.7 |
-8.28 |
0.46 |
0 |
|
|
76211 |
48424599 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-206.63 |
3.43 |
-9.57 |
0.17 |
0 |
|
|
76212 |
48424600 |
1 |
N2O4C13H24 |
A2B4C13D24 |
-175.67 |
5.28 |
-9.37 |
0.87 |
0 |
|
|
76213 |
48424603 |
1 |
BrFNO2C14H17 |
ABCD2E14F17 |
-104.2 |
3.52 |
-9.5 |
-0.46 |
0 |
|
|
76214 |
48424605 |
1 |
NO4C17H25 |
AB4C17D25 |
-139.58 |
2.95 |
-8.25 |
0.06 |
0 |
|
|
76215 |
48424606 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-55.23 |
2.03 |
-8.92 |
0.41 |
0 |
|
|
76216 |
48424607 |
2 |
NO2C12H15 |
AB2C12D15 |
-126.4 |
4.35 |
-8.87 |
-0.14 |
0 |
|
|
76217 |
48424608 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-142.16 |
6.19 |
-8.79 |
0.02 |
0 |
|
|
76218 |
48424610 |
2 |
NO2C10H12 |
AB2C10D12 |
-138.48 |
3.09 |
-8.81 |
0.04 |
0 |
|
|
76219 |
48424611 |
1 |
FN2O4C21H23 |
AB2C4D21E23 |
-181.38 |
2.97 |
-9.44 |
-0.42 |
0 |
|
|
76220 |
48424612 |
1 |
FNO3C17H22 |
ABC3D17E22 |
-148.09 |
4.29 |
-9.38 |
-0.37 |
0 |
|
|
76221 |
48424616 |
1 |
NO3C14H23 |
AB3C14D23 |
-116.22 |
3.97 |
-9.17 |
0.8 |
0 |
|
|
76222 |
48424617 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-105.25 |
4.16 |
-8.77 |
1.12 |
0 |
|
|
76223 |
48424618 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-128.86 |
3.42 |
-8.9 |
0.21 |
0 |
|
|
76224 |
48424619 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-97.24 |
4.06 |
-8.82 |
0.99 |
0 |
|
|
76225 |
48424621 |
2 |
NOC11H17 |
ABC11D17 |
-77.79 |
4.08 |
-8.11 |
0.48 |
0 |
|
|
76226 |
48424622 |
1 |
BrNO4C17H22 |
ABC4D17E22 |
-143.54 |
3.84 |
-9.64 |
-0.3 |
0 |
|
|
76227 |
48424623 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-39.68 |
3.29 |
-9.02 |
-0.9 |
0 |
|
|
76228 |
48424629 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-74.15 |
3.34 |
-9.09 |
-0.19 |
0 |
|
|
76229 |
48424630 |
1 |
NO4C17H27 |
AB4C17D27 |
-174.45 |
3.52 |
-9.39 |
0.22 |
0 |
|
|
76230 |
48424633 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-108.79 |
5.24 |
-9.24 |
0.02 |
0 |
|
|
76231 |
48424635 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-125.91 |
6.69 |
-9.39 |
0.02 |
0 |
|
|
76232 |
48424638 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-136.81 |
3.21 |
-8.71 |
-0.01 |
0 |
|
|
76233 |
48424641 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-140.63 |
2.49 |
-8.91 |
0.08 |
0 |
|
|
76234 |
48424643 |
1 |
NO2C16H29 |
AB2C16D29 |
-116.58 |
3.51 |
-9.39 |
1.09 |
0 |
|
|
76235 |
48424644 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-70.94 |
2.03 |
-8.91 |
-0.57 |
0 |
|
|
76236 |
48424645 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-31.47 |
4.21 |
-8.96 |
-0.58 |
0 |
|
|
76237 |
48424647 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-146.04 |
2.58 |
-9.46 |
0.17 |
0 |
|
|
76238 |
48424649 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-105.15 |
1.93 |
-9.51 |
-0.3 |
0 |
|
|
76239 |
48424650 |
1 |
ClNO3C16H20 |
ABC3D16E20 |
-107.19 |
3.77 |
-8.96 |
-0.32 |
0 |
|
|
76240 |
48424651 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-107.79 |
2.3 |
-8.56 |
0.11 |
0 |
|
|
76241 |
48424652 |
2 |
NOC9H15 |
ABC9D15 |
-71.37 |
1.25 |
-8.65 |
0.88 |
0 |
|
|
76242 |
48424653 |
1 |
SN2O4C18H28 |
AB2C4D18E28 |
-161.79 |
4.79 |
-8.9 |
-0.02 |
0 |
|
|
76243 |
48424655 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-144.99 |
2.3 |
-9.61 |
0.08 |
0 |
|
|
76244 |
48424658 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-126.23 |
1.58 |
-8.7 |
-0.75 |
0 |
|
|
76245 |
48424659 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-69.88 |
7.91 |
-9.81 |
-1.27 |
0 |
|
|
76246 |
48424661 |
1 |
BrNO3C16H20 |
ABC3D16E20 |
-98.48 |
2.98 |
-9.09 |
-0.42 |
0 |
|
|
76247 |
48424662 |
1 |
F2N2O3C18H18 |
A2B2C3D18E18 |
-176.11 |
4.82 |
-9.21 |
-0.5 |
0 |
|
|
76248 |
48424664 |
1 |
NO4C18H25 |
AB4C18D25 |
-152.72 |
4.25 |
-9.42 |
0.31 |
0 |
|
|
76249 |
48424665 |
1 |
ClNO4C18H24 |
ABC4D18E24 |
-152.61 |
6.17 |
-8.9 |
-0.4 |
0 |
|
|
76250 |
48424666 |
1 |
ClNO2C18H24 |
ABC2D18E24 |
-72.4 |
3.25 |
-9.3 |
-0.04 |
0 |
|
|
76251 |
48424667 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-101.11 |
7.06 |
-9.4 |
-0.53 |
0 |