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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13374 |
228044 |
1 |
NO6C13H17 |
AB6C13D17 |
-229.52 |
6.49 |
-9.54 |
-0.8 |
0 |
|
|
13375 |
228092 |
1 |
SN4O4C10H12 |
AB4C4D10E12 |
33.62 |
7.27 |
-9.28 |
-1.87 |
0 |
|
|
13376 |
228094 |
2 |
O4C5H9 |
A4B5C9 |
-369.28 |
3.32 |
-10.47 |
-0.05 |
0 |
|
|
13377 |
228095 |
1 |
ClO4C11H11 |
AB4C11D11 |
-177.2 |
5.52 |
-9.87 |
-0.47 |
0 |
|
|
13378 |
228314 |
1 |
OC12H22 |
AB12C22 |
-88.68 |
3.31 |
-9.53 |
0.87 |
0 |
|
|
13379 |
228368 |
1 |
INO2C12H24 |
ABC2D12E24 |
-121.64 |
1.55 |
-9.75 |
-0.75 |
0 |
|
|
13380 |
228369 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-136.77 |
2.37 |
-8.99 |
0.38 |
0 |
|
|
13381 |
228378 |
4 |
OC4H4 |
AB4C4 |
-116.68 |
3.76 |
-9.01 |
-0.46 |
0 |
|
|
13382 |
228431 |
1 |
N2O2C5H10 |
A2B2C5D10 |
-3.3 |
3.71 |
-8.83 |
-0.94 |
0 |
|
|
13383 |
228443 |
6 |
OC2H3 |
AB2C3 |
-283.18 |
4.92 |
-10.63 |
-0.15 |
0 |
|
|
13384 |
228444 |
1 |
ClNH8C13 |
ABC8D13 |
70.26 |
5.49 |
-9.69 |
-1.11 |
0 |
|
|
13385 |
228445 |
1 |
O3C13H14 |
A3B13C14 |
-98.18 |
6.58 |
-9.68 |
-0.1 |
0 |
|
|
13386 |
228468 |
1 |
N4O7H8C10 |
A4B7C8D10 |
-53.36 |
4.3 |
-10.26 |
-2.25 |
0 |
|
|
13387 |
228495 |
1 |
O3C21H34 |
A3B21C34 |
-187.59 |
4.12 |
-9.9 |
0.57 |
0 |
|
|
13388 |
228528 |
1 |
O3C12H14 |
A3B12C14 |
-97.67 |
3.92 |
-9.43 |
-0.26 |
0 |
|
|
13389 |
228541 |
1 |
O3C25H48 |
A3B25C48 |
-228.88 |
3.85 |
-10.19 |
0.27 |
0 |
|
|
13390 |
228546 |
1 |
O4C21H28 |
A4B21C28 |
-173.03 |
7.56 |
-9.38 |
-1.05 |
0 |
|
|
13391 |
228657 |
1 |
NOC14H21 |
ABC14D21 |
-58.22 |
4.19 |
-9.49 |
-0.17 |
0 |
|
|
13392 |
228670 |
1 |
ClO3C15H21 |
AB3C15D21 |
-143.76 |
1.54 |
-8.91 |
-0.08 |
0 |
|
|
13393 |
228717 |
3 |
OC2H4 |
AB2C4 |
-141.73 |
1.57 |
-9.98 |
0.52 |
0 |
|
|
13394 |
228718 |
2 |
OC4H7 |
AB4C7 |
-111.23 |
2.3 |
-10.74 |
0.64 |
0 |
|
|
13395 |
228722 |
1 |
O2C13H22 |
A2B13C22 |
-126.19 |
2.36 |
-10.51 |
0.67 |
0 |
|
|
13396 |
228794 |
1 |
SO2N3C11H15 |
AB2C3D11E15 |
-67.47 |
6.95 |
-9.4 |
-0.16 |
0 |
|
|
13397 |
228812 |
1 |
INO2C5H8 |
ABC2D5E8 |
-57.15 |
2.86 |
-10.02 |
-1.25 |
0 |
|
|
13398 |
228904 |
2 |
OC6H10 |
AB6C10 |
-113.38 |
2.05 |
-10.08 |
2.5 |
0 |
|
|
13399 |
228958 |
1 |
SN2O4Cl6H8C15 |
AB2C4D6E8F15 |
-93.05 |
4.93 |
-9.99 |
-1.39 |
0 |
|
|
13400 |
228959 |
1 |
NO3Cl6H7C15 |
AB3C6D7E15 |
-60.99 |
1.72 |
-8.91 |
-1.21 |
0 |
|
|
13401 |
229060 |
1 |
PO5C24H49 |
AB5C24D49 |
-328.87 |
3.67 |
-9.46 |
0.5 |
0 |
|
|
13402 |
229314 |
1 |
ClNO2C13H14 |
ABC2D13E14 |
-88.71 |
2.88 |
-8.52 |
-0.2 |
0 |
|
|
13403 |
229357 |
1 |
NSO4C13H17 |
ABC4D13E17 |
-154.03 |
2.27 |
-10.09 |
-1.38 |
0 |
|
|
13404 |
229411 |
1 |
SN2O3C11H16 |
AB2C3D11E16 |
-121.49 |
4.94 |
-8.93 |
-0.46 |
0 |
|
|
13405 |
229412 |
1 |
SN2O3C12H18 |
AB2C3D12E18 |
-130.64 |
4.75 |
-8.69 |
-0.37 |
0 |
|
|
13406 |
229458 |
1 |
NO2H13C20 |
AB2C13D20 |
18.97 |
6.28 |
-9.35 |
-1.28 |
0 |
|
|
13407 |
229475 |
1 |
NPCl2O3C6H14 |
ABC2D3E6F14 |
-222.8 |
3.59 |
-9.81 |
0.11 |
0 |
|
|
13408 |
229547 |
1 |
BrOH13C15 |
ABC13D15 |
6.05 |
3.69 |
-9.51 |
-1.04 |
0 |
|
|
13409 |
229548 |
1 |
BrOH15C16 |
ABC15D16 |
-1.4 |
3.91 |
-9.56 |
-0.83 |
0 |
|
|
13410 |
229549 |
1 |
NOH15C16 |
ABC15D16 |
54.51 |
1.21 |
-9.21 |
-0.12 |
0 |
|
|
13411 |
229578 |
1 |
O9H24C28 |
A9B24C28 |
-299.9 |
5.68 |
-10.12 |
-0.9 |
0 |
|
|
13412 |
229585 |
1 |
SO3C7H16 |
AB3C7D16 |
-162.72 |
3.69 |
-10.88 |
0.35 |
0 |
|
|
13413 |
229976 |
1 |
SO2N4C20H22 |
AB2C4D20E22 |
18.41 |
4.58 |
-8.81 |
-0.64 |
0 |
|
|
13414 |
230385 |
1 |
S3O8C40H42 |
A3B8C40D42 |
-249.69 |
4.89 |
-8.14 |
-0.72 |
0 |
|
|
13415 |
230398 |
1 |
NO18C28H37 |
AB18C28D37 |
-779.56 |
3.96 |
-10.49 |
0.12 |
0 |
|
|
13416 |
230480 |
1 |
NPO2C10H16 |
ABC2D10E16 |
-110.78 |
4.65 |
-8.43 |
0.22 |
0 |
|
|
13417 |
230768 |
1 |
BrSO3C8H9 |
ABC3D8E9 |
-119.03 |
4.68 |
-9.96 |
-0.88 |
0 |
|
|
13418 |
231188 |
1 |
N2O4C17H28 |
A2B4C17D28 |
-187.74 |
4.49 |
-8.9 |
-0.79 |
0 |
|
|
13419 |
231241 |
1 |
NO5C9H9 |
AB5C9D9 |
-92.21 |
10.75 |
-10.02 |
-1.13 |
0 |
|
|
13420 |
231271 |
1 |
N2O5C11H14 |
A2B5C11D14 |
-115.8 |
7.27 |
-9.85 |
-1.57 |
0 |
|
|
13421 |
231272 |
1 |
N3O7C11H13 |
A3B7C11D13 |
-115.59 |
5.74 |
-10.23 |
-2.12 |
0 |
|
|
13422 |
231355 |
1 |
ON2H30C31 |
AB2C30D31 |
75.17 |
2.88 |
-8.07 |
-0.11 |
0 |
|
|
13423 |
231516 |
1 |
BrOH15C16 |
ABC15D16 |
-17.45 |
5.75 |
-8.92 |
-0.91 |
0 |
|
|
13424 |
231520 |
1 |
O3H16C17 |
A3B16C17 |
-91.12 |
3.33 |
-9.05 |
-0.97 |
0 |
|
|
13425 |
231521 |
1 |
OC17H18 |
AB17C18 |
-29.37 |
4.49 |
-8.61 |
-0.67 |
0 |
|
|
13426 |
231552 |
1 |
BrNC8H18 |
ABC8D18 |
-36.32 |
3.12 |
-8.96 |
-0.01 |
0 |
|
|
13427 |
231587 |
1 |
ON2H12C15 |
AB2C12D15 |
21.93 |
4.72 |
-8.48 |
-0.59 |
0 |
|
|
13428 |
231713 |
2 |
O2H9C13 |
A2B9C13 |
-49.51 |
3.59 |
-9.03 |
-0.91 |
0 |
|
|
13429 |
231894 |
1 |
ClNO2H4C8 |
ABC2D4E8 |
-32.14 |
2.71 |
-10.59 |
-1.75 |
0 |
|
|
13430 |
231950 |
1 |
ClNO2H12C15 |
ABC2D12E15 |
-33.38 |
6.74 |
-8.31 |
-0.91 |
0 |
|
|
13431 |
231953 |
2 |
NC6H9 |
AB6C9 |
17.05 |
1.98 |
-8.05 |
0.65 |
0 |
|
|
13432 |
232000 |
1 |
O3H8C16 |
A3B8C16 |
-45.33 |
6.9 |
-9.58 |
-2.18 |
0 |
|
|
13433 |
232046 |
1 |
SN2O4H12C16 |
AB2C4D12E16 |
-9.63 |
5.01 |
-9.18 |
-1.71 |
0 |
|
|
13434 |
232085 |
1 |
OH20C21 |
AB20C21 |
15.31 |
2.02 |
-9.09 |
0.12 |
0 |
|
|
13435 |
232103 |
1 |
NO4C8H15 |
AB4C8D15 |
-200.17 |
4.01 |
-10.19 |
0.33 |
0 |
|
|
13436 |
232105 |
1 |
NO3Cl5H8C14 |
AB3C5D8E14 |
-97.77 |
3.36 |
-8.78 |
-1.28 |
0 |
|
|
13437 |
232193 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-77.39 |
6.81 |
-9.74 |
-0.18 |
0 |
|
|
13438 |
232232 |
2 |
OC7H10 |
AB7C10 |
-86.47 |
2.51 |
-9.44 |
0.35 |
0 |
|
|
13439 |
232530 |
1 |
Cl2N4H6C11 |
A2B4C6D11 |
90.69 |
3.0 |
-9.53 |
-1.52 |
0 |
|
|
13440 |
232532 |
1 |
OCl5H5C8 |
AB5C5D8 |
-48.82 |
4.11 |
-10.52 |
-1.6 |
0 |
|
|
13441 |
232588 |
1 |
S3N4O8H26C28 |
A3B4C8D26E28 |
-239.98 |
16.99 |
-9.11 |
-1.11 |
0 |
|
|
13442 |
232616 |
1 |
NOC12H17 |
ABC12D17 |
-27.43 |
1.77 |
-9.1 |
0.38 |
0 |
|
|
13443 |
232643 |
1 |
SN2O4C9H12 |
AB2C4D9E12 |
-71.83 |
4.87 |
-10.36 |
-1.71 |
0 |
|
|
13444 |
232657 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-148.23 |
2.69 |
-9.08 |
0.62 |
0 |
|
|
13446 |
232754 |
2 |
NO3H6C7 |
AB3C6D7 |
-213.99 |
4.34 |
-8.85 |
-0.92 |
0 |
|
|
13447 |
232834 |
1 |
SO2N4C5H6 |
AB2C4D5E6 |
-47.38 |
9.93 |
-9.76 |
-0.8 |
0 |
|
|
13448 |
232849 |
1 |
N2H12C17 |
A2B12C17 |
88.75 |
3.15 |
-8.42 |
-0.72 |
0 |
|
|
13449 |
232921 |
1 |
ClO3C20H27 |
AB3C20D27 |
-168.67 |
7.64 |
-9.8 |
-0.35 |
0 |
|
|
13450 |
232957 |
2 |
N2H9C10 |
A2B9C10 |
150.16 |
0.45 |
-8.89 |
-1.36 |
0 |
|
|
13451 |
232960 |
2 |
O3C13H17 |
A3B13C17 |
-237.91 |
3.81 |
-8.73 |
0.18 |
0 |
|
|
13452 |
233290 |
2 |
NH6C7 |
AB6C7 |
60.63 |
3.58 |
-8.37 |
-0.3 |
0 |
|
|
13453 |
233399 |
2 |
NO2C5H6 |
AB2C5D6 |
-19.32 |
5.35 |
-10.2 |
-1.38 |
0 |
|
|
13454 |
233400 |
1 |
BrC10H13 |
AB10C13 |
-10.34 |
2.15 |
-9.0 |
-0.32 |
0 |
|
|
13455 |
233554 |
1 |
NO3H21C23 |
AB3C21D23 |
-42.33 |
3.5 |
-9.32 |
-0.44 |
0 |
|
|
13456 |
233644 |
1 |
ClO5C19H23 |
AB5C19D23 |
-176.47 |
5.05 |
-8.46 |
-0.39 |
0 |
|
|
13457 |
233760 |
2 |
NSO3C13H20 |
ABC3D13E20 |
-185.04 |
8.35 |
-8.42 |
-0.48 |
0 |
|
|
13458 |
233783 |
1 |
Cl2N5H11C13 |
A2B5C11D13 |
85.14 |
6.52 |
-9.15 |
-0.94 |
0 |
|
|
13459 |
233812 |
2 |
NOC5H8 |
ABC5D8 |
-110.18 |
3.78 |
-10.38 |
-0.02 |
0 |
|
|
13460 |
234041 |
1 |
ON2C24H28 |
AB2C24D28 |
30.39 |
4.68 |
-7.96 |
-0.05 |
0 |
|
|
13461 |
234179 |
1 |
O3C16H30 |
A3B16C30 |
-199.89 |
4.24 |
-10.52 |
0.4 |
0 |
|
|
13462 |
234180 |
1 |
N2O3C13H14 |
A2B3C13D14 |
-6.46 |
7.74 |
-8.84 |
-1.04 |
0 |
|
|
13463 |
234389 |
1 |
BrSO3H9C10 |
ABC3D9E10 |
-87.14 |
2.35 |
-8.9 |
-0.59 |
0 |
|
|
13464 |
234396 |
1 |
ClS2O3C11H11 |
AB2C3D11E11 |
-76.45 |
4.59 |
-8.94 |
-0.9 |
0 |
|
|
13465 |
234397 |
1 |
ClSO2H7C8 |
ABC2D7E8 |
-53.04 |
1.94 |
-8.9 |
-0.57 |
0 |
|
|
13466 |
234414 |
1 |
O6C13H14 |
A6B13C14 |
-229.43 |
4.73 |
-9.13 |
-0.57 |
0 |
|
|
13467 |
234415 |
1 |
O5C13H16 |
A5B13C16 |
-211.12 |
6.8 |
-9.15 |
-0.51 |
0 |
|
|
13468 |
234558 |
1 |
NS2C7H13 |
AB2C7D13 |
-7.8 |
4.01 |
-9.06 |
-0.18 |
0 |
|
|
13469 |
234577 |
1 |
PSN4O4H15C18 |
ABC4D4E15F18 |
4.29 |
8.34 |
-9.72 |
-1.51 |
0 |
|
|
13470 |
234634 |
1 |
ON6C10H14 |
AB6C10D14 |
30.34 |
3.59 |
-9.08 |
-0.66 |
0 |
|
|
13471 |
234647 |
1 |
NO3C17H17 |
AB3C17D17 |
-10.07 |
5.37 |
-9.81 |
-0.56 |
0 |
|
|
13472 |
234864 |
1 |
S2N3O4C26H31 |
A2B3C4D26E31 |
-110.99 |
5.46 |
-8.2 |
-0.88 |
0 |
|
|
13473 |
235105 |
1 |
O2N3H7C11 |
A2B3C7D11 |
-8.69 |
6.89 |
-10.03 |
-1.46 |
0 |
|
|
13474 |
235241 |
1 |
O7C20H24 |
A7B20C24 |
-265.12 |
4.11 |
-8.41 |
-0.01 |
0 |