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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
35850 |
7980403 |
1 |
N2O5C15H20 |
A2B5C15D20 |
-196.6 |
4.32 |
-9.0 |
0.02 |
0 |
|
|
35851 |
7980404 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-170.99 |
5.3 |
-8.97 |
-0.66 |
0 |
|
|
35852 |
7980405 |
1 |
BrNO3H16C18 |
ABC3D16E18 |
-62.21 |
3.09 |
-9.71 |
-1.08 |
0 |
|
|
35853 |
7980406 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-180.19 |
5.72 |
-9.34 |
-0.39 |
0 |
|
|
35854 |
7980407 |
1 |
FN2O5H17C18 |
AB2C5D17E18 |
-199.29 |
1.98 |
-9.22 |
-0.47 |
0 |
|
|
35855 |
7980408 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-86.04 |
2.77 |
-9.32 |
-1.02 |
0 |
|
|
35856 |
7980409 |
1 |
NCl2O4H15C17 |
AB2C4D15E17 |
-131.6 |
1.74 |
-9.33 |
-0.76 |
0 |
|
|
35857 |
7980410 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-64.81 |
4.59 |
-9.71 |
-0.89 |
0 |
|
|
35858 |
7980411 |
2 |
NO2C11H14 |
AB2C11D14 |
-177.21 |
1.96 |
-9.76 |
-0.14 |
0 |
|
|
35859 |
7980413 |
1 |
ClNSO3C19H20 |
ABCD3E19F20 |
-103.23 |
4.05 |
-8.5 |
-0.2 |
0 |
|
|
35860 |
7980414 |
1 |
ClNSO3H14C18 |
ABCD3E14F18 |
-40.35 |
2.46 |
-9.22 |
-0.69 |
0 |
|
|
35861 |
7980415 |
1 |
NO5H23C24 |
AB5C23D24 |
-124.83 |
2.98 |
-8.67 |
-0.31 |
0 |
|
|
35862 |
7980416 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-211.54 |
1.54 |
-9.32 |
-0.2 |
0 |
|
|
35863 |
7980417 |
1 |
NSO4C17H17 |
ABC4D17E17 |
-115.87 |
4.49 |
-9.47 |
-1.05 |
0 |
|
|
35864 |
7980418 |
1 |
N2O3H16C19 |
A2B3C16D19 |
-48.63 |
2.48 |
-9.63 |
-1.1 |
0 |
|
|
35865 |
7980419 |
1 |
NF3O3H14C17 |
AB3C3D14E17 |
-238.56 |
4.53 |
-9.72 |
-1.04 |
0 |
|
|
35866 |
7980420 |
1 |
ClN2O6H13C16 |
AB2C6D13E16 |
-123.28 |
1.38 |
-9.23 |
-1.9 |
0 |
|
|
35867 |
7980422 |
2 |
NO3H7C8 |
AB3C7D8 |
-115.93 |
7.72 |
-9.48 |
-1.38 |
0 |
|
|
35868 |
7980423 |
1 |
NO4C19H19 |
AB4C19D19 |
-106.38 |
3.6 |
-8.93 |
-0.62 |
0 |
|
|
35869 |
7980424 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-189.19 |
4.0 |
-9.0 |
0.26 |
0 |
|
|
35870 |
7980426 |
2 |
NO3C9H9 |
AB3C9D9 |
-131.59 |
5.35 |
-9.2 |
-1.37 |
0 |
|
|
35871 |
7980427 |
1 |
N2F3O6H13C17 |
A2B3C6D13E17 |
-277.02 |
3.69 |
-9.31 |
-2.0 |
0 |
|
|
35872 |
7980430 |
1 |
NF3O4H16C18 |
AB3C4D16E18 |
-279.97 |
4.02 |
-9.35 |
-0.59 |
0 |
|
|
35873 |
7980431 |
1 |
NO4H19C22 |
AB4C19D22 |
-84.37 |
2.97 |
-9.13 |
-0.65 |
0 |
|
|
35874 |
7980432 |
1 |
ClNSO3H18C21 |
ABCD3E18F21 |
-64.98 |
3.2 |
-8.6 |
-1.0 |
0 |
|
|
35875 |
7980434 |
1 |
N2O3H14C17 |
A2B3C14D17 |
-44.72 |
4.51 |
-9.87 |
-1.22 |
0 |
|
|
35876 |
7980435 |
1 |
BrN2O3H13C15 |
AB2C3D13E15 |
-62.77 |
3.91 |
-9.87 |
-1.16 |
0 |
|
|
35877 |
7980437 |
1 |
ClNO4C18H18 |
ABC4D18E18 |
-128.18 |
2.95 |
-9.24 |
-0.35 |
0 |
|
|
35878 |
7980438 |
1 |
NO5C18H19 |
AB5C18D19 |
-161.27 |
6.71 |
-9.32 |
-0.33 |
0 |
|
|
35879 |
7980439 |
1 |
ClNO4C18H18 |
ABC4D18E18 |
-131.12 |
1.88 |
-9.27 |
-0.36 |
0 |
|
|
35880 |
7980440 |
1 |
NO3C18H19 |
AB3C18D19 |
-97.64 |
2.65 |
-9.27 |
-0.16 |
0 |
|
|
35881 |
7980441 |
1 |
NO6C19H19 |
AB6C19D19 |
-182.29 |
3.08 |
-8.91 |
-0.4 |
0 |
|
|
35882 |
7980443 |
1 |
NO6C19H19 |
AB6C19D19 |
-183.0 |
3.14 |
-8.79 |
-0.36 |
0 |
|
|
35883 |
7980444 |
1 |
NO4C19H21 |
AB4C19D21 |
-134.34 |
6.25 |
-9.18 |
-0.21 |
0 |
|
|
35884 |
7980445 |
1 |
BrNO4C19H20 |
ABC4D19E20 |
-126.96 |
5.15 |
-8.99 |
-0.2 |
0 |
|
|
35885 |
7980446 |
1 |
NO3C19H21 |
AB3C19D21 |
-95.68 |
1.74 |
-9.54 |
-0.03 |
0 |
|
|
35886 |
7980447 |
1 |
ClNO4C18H18 |
ABC4D18E18 |
-130.76 |
0.99 |
-9.33 |
-0.28 |
0 |
|
|
35887 |
7980448 |
1 |
NO3C19H21 |
AB3C19D21 |
-96.08 |
4.7 |
-9.59 |
-0.22 |
0 |
|
|
35888 |
7980449 |
1 |
ClNO4C18H18 |
ABC4D18E18 |
-130.45 |
1.89 |
-9.28 |
-0.27 |
0 |
|
|
35889 |
7980450 |
1 |
N2O5H16C17 |
A2B5C16D17 |
-90.39 |
4.87 |
-9.86 |
-1.7 |
0 |
|
|
35890 |
7980451 |
1 |
NCl2O3H15C17 |
AB2C3D15E17 |
-101.64 |
5.25 |
-9.54 |
-0.48 |
0 |
|
|
35891 |
7980452 |
1 |
NO5C18H19 |
AB5C18D19 |
-153.16 |
4.02 |
-8.71 |
-0.37 |
0 |
|
|
35892 |
7980454 |
1 |
BrNSO3H14C18 |
ABCD3E14F18 |
-30.09 |
2.13 |
-9.15 |
-1.18 |
0 |
|
|
35893 |
7980455 |
1 |
NO6C21H25 |
AB6C21D25 |
-204.76 |
3.62 |
-8.75 |
-0.09 |
0 |
|
|
35894 |
7980460 |
1 |
ClNO5H20C22 |
ABC5D20E22 |
-164.83 |
3.95 |
-9.86 |
-2.14 |
0 |
|
|
35895 |
7980461 |
1 |
NO4C19H19 |
AB4C19D19 |
-105.32 |
3.42 |
-9.09 |
-0.74 |
0 |
|
|
35896 |
7980462 |
1 |
ClNO5H20C22 |
ABC5D20E22 |
-164.53 |
4.33 |
-9.9 |
-2.18 |
0 |
|
|
35897 |
7980463 |
1 |
FNO3H16C17 |
ABC3D16E17 |
-132.09 |
1.29 |
-9.75 |
-0.23 |
0 |
|
|
35898 |
7980464 |
1 |
ClFO4H12C22 |
ABC4D12E22 |
-120.88 |
3.12 |
-9.92 |
-2.04 |
0 |
|
|
35899 |
7980465 |
1 |
FNO3H16C18 |
ABC3D16E18 |
-113.12 |
2.1 |
-9.67 |
-0.88 |
0 |
|
|
35900 |
7980466 |
1 |
ClNO5H16C20 |
ABC5D16E20 |
-155.74 |
5.14 |
-9.95 |
-2.17 |
0 |
|
|
35901 |
7980468 |
1 |
ClNO6H16C20 |
ABC6D16E20 |
-182.04 |
4.45 |
-10.02 |
-2.15 |
0 |
|
|
35902 |
7980470 |
1 |
SN2O4H16C18 |
AB2C4D16E18 |
-117.75 |
4.32 |
-9.01 |
-1.07 |
0 |
|
|
35903 |
7980471 |
1 |
ClNO5H18C21 |
ABC5D18E21 |
-159.68 |
4.25 |
-9.96 |
-2.22 |
0 |
|
|
35904 |
7980472 |
1 |
N2O5C22H22 |
A2B5C22D22 |
-113.23 |
0.91 |
-9.31 |
-0.33 |
0 |
|
|
35905 |
7980473 |
1 |
ClNO5H18C21 |
ABC5D18E21 |
-150.85 |
6.34 |
-9.59 |
-2.17 |
0 |
|
|
35906 |
7980474 |
1 |
SN2O5C20H22 |
AB2C5D20E22 |
-158.4 |
2.72 |
-9.74 |
-1.01 |
0 |
|
|
35907 |
7980475 |
1 |
NO3C18H23 |
AB3C18D23 |
-116.95 |
1.85 |
-9.52 |
0.19 |
0 |
|
|
35908 |
7980476 |
1 |
ClNO5H20C22 |
ABC5D20E22 |
-162.31 |
4.0 |
-9.93 |
-2.18 |
0 |
|
|
35909 |
7980478 |
1 |
ClNO5H20C22 |
ABC5D20E22 |
-164.07 |
4.05 |
-9.9 |
-2.2 |
0 |
|
|
35910 |
7980480 |
1 |
ClNO5H20C22 |
ABC5D20E22 |
-165.1 |
4.53 |
-9.89 |
-2.2 |
0 |
|
|
35911 |
7980481 |
1 |
N2O5H16C17 |
A2B5C16D17 |
-90.8 |
3.87 |
-9.57 |
-1.66 |
0 |
|
|
35912 |
7980482 |
1 |
SN2O4C21H24 |
AB2C4D21E24 |
-140.89 |
6.65 |
-9.06 |
-0.84 |
0 |
|
|
35913 |
7980483 |
1 |
ClNO5H18C22 |
ABC5D18E22 |
-148.11 |
4.64 |
-9.44 |
-2.14 |
0 |
|
|
35914 |
7980484 |
1 |
ClNO5H18C22 |
ABC5D18E22 |
-146.08 |
3.19 |
-9.44 |
-1.94 |
0 |
|
|
35915 |
7980485 |
1 |
NO5C22H25 |
AB5C22D25 |
-177.15 |
2.35 |
-9.25 |
-0.46 |
0 |
|
|
35916 |
7980486 |
1 |
ClN2O6H15C20 |
AB2C6D15E20 |
-184.97 |
6.21 |
-10.09 |
-2.07 |
0 |
|
|
35917 |
7980487 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-92.65 |
3.05 |
-9.32 |
-1.04 |
0 |
|
|
35918 |
7980488 |
1 |
ClN2O6H15C20 |
AB2C6D15E20 |
-191.22 |
4.72 |
-10.03 |
-2.16 |
0 |
|
|
35919 |
7980489 |
2 |
NO2C10H10 |
AB2C10D10 |
-125.34 |
6.76 |
-9.05 |
-0.5 |
0 |
|
|
35920 |
7980494 |
1 |
NO3C20H23 |
AB3C20D23 |
-97.93 |
3.26 |
-9.67 |
-0.03 |
0 |
|
|
35921 |
7980495 |
1 |
ClNO4H10C18 |
ABC4D10E18 |
-69.61 |
4.38 |
-10.29 |
-2.18 |
0 |
|
|
35922 |
7980504 |
1 |
ClO5H11C18 |
AB5C11D18 |
-136.84 |
2.18 |
-10.04 |
-1.99 |
0 |
|
|
35923 |
7980506 |
1 |
NO4H19C21 |
AB4C19D21 |
-98.18 |
1.17 |
-8.78 |
-0.66 |
0 |
|
|
35924 |
7980507 |
1 |
ClNO6H16C21 |
ABC6D16E21 |
-174.92 |
2.85 |
-9.62 |
-1.97 |
0 |
|
|
35925 |
7980508 |
1 |
NSO3C18H19 |
ABC3D18E19 |
-83.22 |
3.69 |
-8.91 |
-0.32 |
0 |
|
|
35926 |
7980509 |
1 |
NO4C20H23 |
AB4C20D23 |
-135.67 |
2.43 |
-9.23 |
-0.34 |
0 |
|
|
35927 |
7980510 |
1 |
SN2O3H18C19 |
AB2C3D18E19 |
-66.38 |
1.68 |
-9.15 |
-0.72 |
0 |
|
|
35928 |
7980511 |
1 |
ClNO5H16C21 |
ABC5D16E21 |
-141.3 |
2.4 |
-9.51 |
-2.1 |
0 |
|
|
35929 |
7980512 |
1 |
ClNO4H20C23 |
ABC4D20E23 |
-101.74 |
3.88 |
-9.48 |
-0.56 |
0 |
|
|
35930 |
7980513 |
1 |
ClNO5H18C22 |
ABC5D18E22 |
-146.68 |
3.66 |
-9.58 |
-1.95 |
0 |
|
|
35931 |
7980514 |
1 |
ClO5H13C23 |
AB5C13D23 |
-99.04 |
2.73 |
-10.0 |
-1.97 |
0 |
|
|
35932 |
7980515 |
1 |
NO2F4H13C16 |
AB2C4D13E16 |
-247.14 |
4.8 |
-9.08 |
-0.99 |
0 |
|
|
35933 |
7980516 |
1 |
SN2O3H18C23 |
AB2C3D18E23 |
-22.89 |
4.26 |
-9.04 |
-1.07 |
0 |
|
|
35934 |
7980517 |
1 |
FNO2C17H18 |
ABC2D17E18 |
-104.3 |
4.3 |
-8.91 |
-0.2 |
0 |
|
|
35935 |
7980518 |
1 |
NO5H19C22 |
AB5C19D22 |
-135.9 |
6.31 |
-8.4 |
-1.24 |
0 |
|
|
35936 |
7980519 |
1 |
FNO2C17H18 |
ABC2D17E18 |
-100.9 |
4.6 |
-8.76 |
-0.15 |
0 |
|
|
35937 |
7980520 |
1 |
FNO2C17H18 |
ABC2D17E18 |
-100.81 |
4.71 |
-8.95 |
-0.18 |
0 |
|
|
35938 |
7980521 |
2 |
NO2C12H12 |
AB2C12D12 |
-113.09 |
3.73 |
-8.75 |
-0.85 |
0 |
|
|
35939 |
7980522 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-56.86 |
7.3 |
-9.01 |
-1.3 |
0 |
|
|
35940 |
7980523 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-59.62 |
7.57 |
-8.75 |
-1.35 |
0 |
|
|
35941 |
7980524 |
3 |
NOC7H7 |
ABC7D7 |
-49.46 |
5.76 |
-9.18 |
-1.34 |
0 |
|
|
35942 |
7980525 |
1 |
BrFSN2O3C16H16 |
ABCD2E3F16G16 |
-125.45 |
6.51 |
-9.36 |
-0.99 |
0 |
|
|
35943 |
7980526 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-19.25 |
3.89 |
-9.25 |
-1.02 |
0 |
|
|
35944 |
7980527 |
1 |
NSO5C18H19 |
ABC5D18E19 |
-182.5 |
10.05 |
-9.57 |
-1.4 |
0 |
|
|
35945 |
7980528 |
1 |
FSN3O4C20H22 |
ABC3D4E20F22 |
-167.16 |
4.32 |
-9.39 |
-1.15 |
0 |
|
|
35946 |
7980529 |
1 |
N2F3O3H15C17 |
A2B3C3D15E17 |
-240.17 |
3.48 |
-8.8 |
-0.87 |
0 |
|
|
35947 |
7980530 |
1 |
NSO5C18H19 |
ABC5D18E19 |
-185.85 |
3.94 |
-9.06 |
-0.72 |
0 |
|
|
35948 |
7980531 |
1 |
FO2N3C20H22 |
AB2C3D20E22 |
-99.58 |
6.33 |
-8.67 |
-0.24 |
0 |
|
|
35949 |
7980532 |
2 |
NO3H9C11 |
AB3C9D11 |
-143.61 |
4.41 |
-8.95 |
-1.31 |
0 |