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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13475 |
235291 |
1 |
O3N4C9H12 |
A3B4C9D12 |
-90.51 |
5.36 |
-9.15 |
-0.54 |
0 |
|
|
13476 |
235307 |
1 |
N2O4C11H14 |
A2B4C11D14 |
-161.58 |
1.81 |
-8.83 |
-0.23 |
0 |
|
|
13477 |
235444 |
1 |
ON5C9H13 |
AB5C9D13 |
29.85 |
2.74 |
-8.89 |
-0.47 |
0 |
|
|
13478 |
235445 |
1 |
O2N5C10H15 |
A2B5C10D15 |
-16.81 |
1.64 |
-9.0 |
-0.62 |
0 |
|
|
13479 |
235559 |
1 |
BaSO5H8C10 |
ABC5D8E10 |
-293.19 |
9.59 |
-8.09 |
-1.7 |
0 |
|
|
13480 |
235711 |
2 |
OC9H16 |
AB9C16 |
-110.57 |
5.07 |
-10.27 |
0.7 |
0 |
|
|
13481 |
235859 |
1 |
FO3C22H29 |
AB3C22D29 |
-199.32 |
9.29 |
-9.69 |
0.01 |
0 |
|
|
13482 |
236634 |
1 |
ClO2N3C8H12 |
AB2C3D8E12 |
-90.7 |
3.92 |
-9.54 |
-0.81 |
0 |
|
|
13483 |
236737 |
1 |
ClNO3C12H14 |
ABC3D12E14 |
-131.68 |
4.89 |
-9.41 |
-0.82 |
0 |
|
|
13484 |
236924 |
1 |
ClN2O2H5C9 |
AB2C2D5E9 |
41.02 |
5.71 |
-10.04 |
-1.89 |
0 |
|
|
13485 |
237026 |
1 |
NO4C6H7 |
AB4C6D7 |
-178.94 |
2.27 |
-11.23 |
-0.6 |
0 |
|
|
13486 |
237183 |
1 |
ClNS3H10C14 |
ABC3D10E14 |
79.13 |
1.86 |
-8.87 |
-0.88 |
0 |
|
|
13487 |
237184 |
2 |
O2C10H15 |
A2B10C15 |
-198.35 |
3.67 |
-9.78 |
-0.11 |
0 |
|
|
13488 |
237401 |
1 |
BrNOCl2H12C17 |
ABCD2E12F17 |
9.16 |
4.31 |
-9.3 |
-1.25 |
0 |
|
|
13489 |
237426 |
1 |
SN5H7C10 |
AB5C7D10 |
131.13 |
4.46 |
-8.96 |
-1.92 |
0 |
|
|
13490 |
237682 |
1 |
AsI2O2H13C19 |
AB2C2D13E19 |
21.01 |
3.73 |
-8.81 |
-2.01 |
0 |
|
|
13491 |
237683 |
1 |
AsO3H13C19 |
AB3C13D19 |
81.09 |
0.3 |
-8.28 |
-1.16 |
0 |
|
|
13492 |
237909 |
1 |
O2C19H38 |
A2B19C38 |
-165.17 |
2.75 |
-9.7 |
1.96 |
0 |
|
|
13493 |
237968 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-70.21 |
3.34 |
-9.72 |
-0.09 |
0 |
|
|
13494 |
237984 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-87.81 |
2.72 |
-9.35 |
0.11 |
0 |
|
|
13495 |
238011 |
1 |
SN2O3C7H8 |
AB2C3D7E8 |
-90.96 |
7.68 |
-10.1 |
-1.35 |
0 |
|
|
13496 |
238651 |
2 |
OC11H16 |
AB11C16 |
-127.04 |
3.0 |
-9.8 |
-0.02 |
0 |
|
|
13497 |
238679 |
2 |
NOC8H8 |
ABC8D8 |
-43.22 |
4.31 |
-8.72 |
-0.73 |
0 |
|
|
13498 |
238695 |
1 |
NOC9H15 |
ABC9D15 |
-53.13 |
2.22 |
-9.79 |
0.55 |
0 |
|
|
13499 |
238735 |
1 |
SCl2N3H9C11 |
AB2C3D9E11 |
42.92 |
2.43 |
-9.02 |
-0.77 |
0 |
|
|
13500 |
238770 |
1 |
NO5C9H11 |
AB5C9D11 |
-93.26 |
7.02 |
-9.09 |
-1.33 |
0 |
|
|
13501 |
238858 |
1 |
NO5C11H21 |
AB5C11D21 |
-236.66 |
3.37 |
-9.38 |
1.12 |
0 |
|
|
13502 |
238859 |
1 |
NO6C13H25 |
AB6C13D25 |
-285.51 |
3.4 |
-9.27 |
1.15 |
0 |
|
|
13503 |
238864 |
2 |
NO2H8C9 |
AB2C8D9 |
-113.06 |
4.14 |
-8.49 |
-1.46 |
0 |
|
|
13504 |
238867 |
1 |
SO2N3H7C8 |
AB2C3D7E8 |
-49.29 |
4.59 |
-9.01 |
-1.03 |
0 |
|
|
13505 |
238869 |
1 |
N3O4C10H17 |
A3B4C10D17 |
-171.32 |
5.62 |
-9.52 |
-0.97 |
0 |
|
|
13506 |
238871 |
1 |
NCl2O2C13H17 |
AB2C2D13E17 |
-96.39 |
5.51 |
-9.13 |
-0.19 |
0 |
|
|
13507 |
239049 |
1 |
SN2O3C8H10 |
AB2C3D8E10 |
-105.93 |
4.3 |
-9.71 |
-1.4 |
0 |
|
|
13508 |
239357 |
1 |
NO3C13H27 |
AB3C13D27 |
-188.55 |
3.85 |
-10.09 |
0.45 |
0 |
|
|
13509 |
239389 |
1 |
SN2C37H76 |
AB2C37D76 |
-154.81 |
1.45 |
-9.26 |
0.04 |
0 |
|
|
13510 |
239529 |
1 |
NO5H21C22 |
AB5C21D22 |
-170.72 |
3.04 |
-9.59 |
-0.26 |
0 |
|
|
13511 |
239576 |
2 |
NO2C6H6 |
AB2C6D6 |
-112.14 |
1.88 |
-10.45 |
-1.54 |
0 |
|
|
13512 |
239622 |
1 |
S5C10H16 |
A5B10C16 |
-15.33 |
0.17 |
-8.77 |
-1.49 |
0 |
|
|
13513 |
239712 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-35.89 |
3.22 |
-8.58 |
-0.03 |
0 |
|
|
13514 |
239770 |
1 |
F2O4C25H38 |
A2B4C25D38 |
-348.06 |
2.41 |
-10.2 |
0.23 |
0 |
|
|
13515 |
240080 |
1 |
NO2C7H9 |
AB2C7D9 |
-96.65 |
4.21 |
-10.63 |
-0.12 |
0 |
|
|
13516 |
240082 |
1 |
SO2N4H6C7 |
AB2C4D6E7 |
-7.34 |
6.68 |
-9.76 |
-1.5 |
0 |
|
|
13517 |
240083 |
1 |
NSO4C13H19 |
ABC4D13E19 |
-168.69 |
8.5 |
-9.89 |
-0.99 |
0 |
|
|
13518 |
240335 |
1 |
O6H8C13 |
A6B8C13 |
-204.09 |
3.88 |
-10.65 |
-2.22 |
0 |
|
|
13519 |
240353 |
2 |
ON3C10H12 |
AB3C10D12 |
54.94 |
2.95 |
-8.62 |
-0.66 |
0 |
|
|
13520 |
240453 |
4 |
OC3H4 |
AB3C4 |
-158.39 |
2.81 |
-8.8 |
-0.6 |
0 |
|
|
13521 |
240464 |
1 |
O5C14H18 |
A5B14C18 |
-205.68 |
4.77 |
-8.8 |
-0.05 |
0 |
|
|
13522 |
240562 |
2 |
O2N3C9H10 |
A2B3C9D10 |
-11.86 |
2.93 |
-8.61 |
-1.06 |
0 |
|
|
13523 |
240722 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-175.85 |
5.73 |
-10.41 |
-0.1 |
0 |
|
|
13524 |
241015 |
1 |
O3C9H16 |
A3B9C16 |
-147.41 |
6.68 |
-10.2 |
1.04 |
0 |
|
|
13525 |
241381 |
2 |
NO2C8H12 |
AB2C8D12 |
-150.78 |
1.12 |
-8.46 |
-0.16 |
0 |
|
|
13526 |
241615 |
1 |
NCl2O4C14H19 |
AB2C4D14E19 |
-156.41 |
4.72 |
-8.95 |
-0.3 |
0 |
|
|
13527 |
242073 |
1 |
BrSN3C8H10 |
ABC3D8E10 |
63.53 |
1.26 |
-8.87 |
-0.78 |
0 |
|
|
13528 |
242074 |
1 |
N2C5H10 |
A2B5C10 |
62.37 |
0.34 |
-9.35 |
2.08 |
0 |
|
|
13529 |
242149 |
2 |
OC7H14 |
AB7C14 |
-147.09 |
2.21 |
-9.71 |
2.05 |
0 |
|
|
13530 |
242716 |
2 |
O3C4H7 |
A3B4C7 |
-244.99 |
1.92 |
-10.17 |
-0.57 |
0 |
|
|
13531 |
242740 |
1 |
FNO2C10H12 |
ABC2D10E12 |
-129.62 |
3.89 |
-9.01 |
-0.23 |
0 |
|
|
13532 |
242820 |
1 |
BrN2O3H5C6 |
AB2C3D5E6 |
-3.45 |
1.12 |
-9.76 |
-2.24 |
0 |
|
|
13533 |
242821 |
1 |
FNH12C16 |
ABC12D16 |
18.45 |
2.43 |
-8.25 |
-0.56 |
0 |
|
|
13534 |
243203 |
2 |
O3C7H13 |
A3B7C13 |
-302.81 |
1.6 |
-10.61 |
0.07 |
0 |
|
|
13535 |
243296 |
1 |
NO2H11C12 |
AB2C11D12 |
-33.13 |
1.37 |
-9.48 |
-1.58 |
0 |
|
|
13536 |
243530 |
1 |
BrNC9H18 |
ABC9D18 |
-11.46 |
2.26 |
-9.31 |
-0.06 |
0 |
|
|
13537 |
243583 |
1 |
NOC9H11 |
ABC9D11 |
-27.48 |
3.39 |
-8.94 |
-0.2 |
0 |
|
|
13538 |
243725 |
1 |
O6C23H24 |
A6B23C24 |
-197.22 |
2.44 |
-8.18 |
-0.49 |
0 |
|
|
13539 |
243775 |
1 |
ON3C7H13 |
AB3C7D13 |
-5.72 |
5.2 |
-10.12 |
0.27 |
0 |
|
|
13540 |
243785 |
1 |
OC12H16 |
AB12C16 |
-55.57 |
1.78 |
-8.99 |
0.31 |
0 |
|
|
13541 |
243786 |
1 |
O3C11H14 |
A3B11C14 |
-119.99 |
2.23 |
-9.28 |
-0.36 |
0 |
|
|
13542 |
243788 |
1 |
O3C11H14 |
A3B11C14 |
-99.52 |
1.66 |
-9.65 |
-0.75 |
0 |
|
|
13543 |
243791 |
1 |
O5C12H22 |
A5B12C22 |
-259.41 |
1.98 |
-10.86 |
0.05 |
0 |
|
|
13544 |
243795 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-4.25 |
5.06 |
-8.82 |
-0.96 |
0 |
|
|
13545 |
244485 |
2 |
OC8H9 |
AB8C9 |
-66.95 |
1.68 |
-8.79 |
-0.35 |
0 |
|
|
13546 |
244517 |
1 |
SCl2N3C15H21 |
AB2C3D15E21 |
26.39 |
0.96 |
-9.04 |
-0.92 |
0 |
|
|
13547 |
245004 |
1 |
NO2C22H35 |
AB2C22D35 |
-117.5 |
2.73 |
-8.64 |
1.0 |
0 |
|
|
13548 |
245542 |
2 |
O2C21H37 |
A2B21C37 |
-299.56 |
2.72 |
-9.3 |
-0.08 |
0 |
|
|
13549 |
246475 |
1 |
N2O2C7H16 |
A2B2C7D16 |
-104.09 |
2.3 |
-9.31 |
0.55 |
0 |
|
|
13550 |
246589 |
2 |
OCl2H4C5 |
AB2C4D5 |
-100.85 |
4.01 |
-9.82 |
-0.66 |
0 |
|
|
13551 |
246615 |
1 |
O3H16C17 |
A3B16C17 |
-85.46 |
4.47 |
-9.56 |
-0.76 |
0 |
|
|
13552 |
246875 |
2 |
O2C13H17 |
A2B13C17 |
-200.0 |
5.01 |
-8.7 |
0.28 |
0 |
|
|
13553 |
246941 |
1 |
ON2H16C21 |
AB2C16D21 |
87.32 |
5.78 |
-8.94 |
-0.55 |
0 |
|
|
13554 |
247765 |
1 |
S2O8C13H18 |
A2B8C13D18 |
-321.9 |
6.24 |
-9.66 |
-0.24 |
0 |
|
|
13555 |
301128 |
1 |
SH3N5C6 |
AB3C5D6 |
128.77 |
5.66 |
-9.94 |
-1.9 |
0 |
|
|
13556 |
301133 |
2 |
OC7H8 |
AB7C8 |
-74.62 |
4.08 |
-9.46 |
0.27 |
0 |
|
|
13557 |
301135 |
1 |
O2C9H14 |
A2B9C14 |
-110.37 |
4.22 |
-9.85 |
0.69 |
0 |
|
|
13558 |
301136 |
1 |
O6C13H18 |
A6B13C18 |
-285.13 |
6.94 |
-10.92 |
-0.23 |
0 |
|
|
13559 |
301139 |
1 |
NO2H13C16 |
AB2C13D16 |
42.16 |
4.53 |
-9.56 |
-0.56 |
0 |
|
|
13560 |
301143 |
1 |
ClO4H7C15 |
AB4C7D15 |
-97.59 |
5.43 |
-10.27 |
-2.2 |
0 |
|
|
13561 |
301146 |
1 |
O3C12H16 |
A3B12C16 |
-142.14 |
2.54 |
-9.93 |
0.56 |
0 |
|
|
13562 |
301149 |
2 |
OC7H7 |
AB7C7 |
-23.98 |
4.9 |
-9.81 |
-0.45 |
0 |
|
|
13563 |
301154 |
2 |
OC5H6 |
AB5C6 |
-62.56 |
2.81 |
-10.12 |
0.31 |
0 |
|
|
13564 |
301159 |
1 |
O3C12H16 |
A3B12C16 |
-106.06 |
3.13 |
-9.67 |
0.88 |
0 |
|
|
13565 |
301160 |
1 |
O2C11H16 |
A2B11C16 |
-80.06 |
1.44 |
-10.1 |
0.78 |
0 |
|
|
13566 |
301162 |
22 |
CH |
AB |
72.68 |
1.18 |
-9.22 |
0.37 |
0 |
|
|
13567 |
301163 |
2 |
OC7H9 |
AB7C9 |
-96.47 |
4.84 |
-10.02 |
0.58 |
0 |
|
|
13568 |
301170 |
1 |
O3C9H14 |
A3B9C14 |
-150.07 |
2.35 |
-10.14 |
0.61 |
0 |
|
|
13569 |
301172 |
1 |
S4C13H22 |
A4B13C22 |
-10.11 |
3.34 |
-7.85 |
0.29 |
0 |
|
|
13570 |
301176 |
1 |
O3C13H14 |
A3B13C14 |
-90.18 |
3.33 |
-9.59 |
0.67 |
0 |
|
|
13571 |
301177 |
1 |
O9C18H20 |
A9B18C20 |
-319.83 |
0.69 |
-10.52 |
-0.56 |
0 |
|
|
13572 |
301178 |
2 |
O5H6C7 |
A5B6C7 |
-347.84 |
11.53 |
-11.38 |
-1.53 |
0 |
|
|
13573 |
301181 |
1 |
OC14H18 |
AB14C18 |
-25.21 |
3.11 |
-9.53 |
-0.64 |
0 |
|
|
13574 |
301184 |
1 |
OC15H16 |
AB15C16 |
13.18 |
3.34 |
-9.68 |
-0.37 |
0 |