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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
8338 |
76609 |
1 |
N3O3C7H7 |
A3B3C7D7 |
10.74 |
1.05 |
-10.34 |
-1.61 |
0 |
|
|
8339 |
76627 |
1 |
PO3C20H27 |
AB3C20D27 |
-146.19 |
2.3 |
-8.96 |
0.18 |
0 |
|
|
8340 |
76632 |
1 |
NO2C10H15 |
AB2C10D15 |
-60.76 |
4.09 |
-8.24 |
0.14 |
0 |
|
|
8341 |
76633 |
1 |
ClPO3C5H12 |
ABC3D5E12 |
-202.7 |
2.16 |
-10.3 |
0.38 |
0 |
|
|
8342 |
76635 |
2 |
NC4H6 |
AB4C6 |
6.94 |
3.15 |
-7.75 |
0.53 |
0 |
|
|
8343 |
76636 |
1 |
SiH28C36 |
AB28C36 |
124.2 |
0.1 |
-9.0 |
-0.31 |
0 |
|
|
8344 |
76638 |
2 |
SH3C4 |
AB3C4 |
60.13 |
0.1 |
-8.57 |
-0.56 |
0 |
|
|
8345 |
76652 |
1 |
NOC9H13 |
ABC9D13 |
-31.49 |
1.63 |
-9.44 |
0.17 |
0 |
|
|
8346 |
76659 |
1 |
NOC9H9 |
ABC9D9 |
-0.39 |
0.2 |
-8.21 |
0.1 |
0 |
|
|
8347 |
76673 |
1 |
ClNOC4H12 |
ABCD4E12 |
-100.2 |
2.43 |
-9.64 |
1.84 |
0 |
|
|
8348 |
76676 |
2 |
NSO5H11C14 |
ABC5D11E14 |
-317.38 |
10.6 |
-8.66 |
-2.23 |
0 |
|
|
8349 |
76696 |
1 |
NCl2O2H7C14 |
AB2C2D7E14 |
-29.48 |
2.4 |
-8.91 |
-1.76 |
0 |
|
|
8350 |
76697 |
1 |
NCl2O3H11C21 |
AB2C3D11E21 |
-41.86 |
3.36 |
-9.37 |
-1.9 |
0 |
|
|
8351 |
76704 |
1 |
NC7H15 |
AB7C15 |
-20.89 |
1.67 |
-8.77 |
3.26 |
0 |
|
|
8352 |
76718 |
1 |
AlCl2C8H17 |
AB2C8D17 |
-143.71 |
3.02 |
-10.75 |
0.75 |
0 |
|
|
8353 |
76720 |
1 |
H4O5C6 |
A4B5C6 |
-161.87 |
0.59 |
-11.12 |
-1.91 |
0 |
|
|
8354 |
76726 |
2 |
OC2N2H3 |
AB2C2D3 |
-76.91 |
4.9 |
-9.53 |
-0.47 |
0 |
|
|
8355 |
76734 |
1 |
Na2O2H4Cl6C13 |
A2B2C4D6E13 |
-219.53 |
3.97 |
-8.05 |
-0.23 |
0 |
|
|
8356 |
76735 |
1 |
O3N6C8H10 |
A3B6C8D10 |
-45.02 |
3.91 |
-9.34 |
-1.44 |
0 |
|
|
8357 |
76741 |
1 |
PS2O4C13H21 |
AB2C4D13E21 |
-227.57 |
7.74 |
-8.43 |
-0.35 |
0 |
|
|
8358 |
76752 |
1 |
ClOH9C11 |
ABC9D11 |
-9.67 |
3.44 |
-9.36 |
-1.09 |
0 |
|
|
8359 |
76768 |
1 |
COPCl2H3 |
ABCD2E3 |
-109.15 |
2.85 |
-10.17 |
0.05 |
0 |
|
|
8361 |
76834 |
1 |
N2O3H4C7 |
A2B3C4D7 |
5.62 |
6.14 |
-10.08 |
-1.4 |
0 |
|
|
8362 |
76877 |
1 |
OC9H16 |
AB9C16 |
-69.28 |
3.27 |
-9.83 |
0.85 |
0 |
|
|
8363 |
76882 |
3 |
SH2C3 |
AB2C3 |
74.63 |
2.46 |
-8.65 |
-1.8 |
0 |
|
|
8364 |
76883 |
1 |
OC10H12 |
AB10C12 |
-19.4 |
1.98 |
-8.83 |
0.26 |
0 |
|
|
8365 |
76886 |
2 |
PS2O3C8H10 |
AB2C3D8E10 |
-344.15 |
5.41 |
-9.15 |
-1.51 |
0 |
|
|
8366 |
76900 |
1 |
OC5H5N5 |
AB5C5D5 |
28.34 |
11.34 |
-8.97 |
-1.13 |
0 |
|
|
8367 |
76913 |
1 |
OC21H44 |
AB21C44 |
-151.09 |
2.26 |
-10.25 |
2.87 |
0 |
|
|
8368 |
76917 |
1 |
ClOC9H11 |
ABC9D11 |
-35.34 |
2.54 |
-9.0 |
0.14 |
0 |
|
|
8369 |
76920 |
1 |
SSi2C6H18 |
AB2C6D18 |
-105.8 |
2.02 |
-8.37 |
0.59 |
0 |
|
|
8370 |
76921 |
2 |
NOC4H6 |
ABC4D6 |
-35.72 |
5.24 |
-10.44 |
0.88 |
0 |
|
|
8371 |
76922 |
1 |
NSC5H7 |
ABC5D7 |
44.37 |
4.49 |
-8.99 |
-0.17 |
0 |
|
|
8372 |
76923 |
1 |
H4O5C6 |
A4B5C6 |
-171.19 |
7.51 |
-11.08 |
-1.57 |
0 |
|
|
8373 |
76924 |
1 |
BrNC10H10 |
ABC10D10 |
30.26 |
3.33 |
-8.58 |
-0.14 |
0 |
|
|
8374 |
76926 |
1 |
N2O6C11H16 |
A2B6C11D16 |
-238.49 |
3.69 |
-10.12 |
-0.89 |
0 |
|
|
8375 |
76927 |
1 |
H2N2Cl3F3C8 |
A2B2C3D3E8 |
-125.43 |
2.92 |
-9.6 |
-1.65 |
0 |
|
|
8376 |
76930 |
1 |
N2O3H10C13 |
A2B3C10D13 |
1.33 |
9.31 |
-9.69 |
-1.32 |
0 |
|
|
8377 |
76931 |
1 |
SN2H10C11 |
AB2C10D11 |
55.67 |
2.39 |
-8.62 |
-0.49 |
0 |
|
|
8378 |
76932 |
2 |
OC5H7 |
AB5C7 |
-75.27 |
0.81 |
-9.28 |
0.29 |
0 |
|
|
8379 |
76934 |
1 |
BrO2C4H7 |
AB2C4D7 |
-96.66 |
1.98 |
-10.79 |
-0.43 |
0 |
|
|
8380 |
76938 |
1 |
NC8H15 |
AB8C15 |
-10.4 |
1.72 |
-9.16 |
1.49 |
0 |
|
|
8381 |
76969 |
2 |
O2C4H7 |
A2B4C7 |
-130.63 |
1.24 |
-10.61 |
-0.84 |
0 |
|
|
8382 |
76985 |
1 |
OSC8H8 |
ABC8D8 |
-4.61 |
2.81 |
-8.73 |
-0.82 |
0 |
|
|
8383 |
76990 |
1 |
FO4C11H11 |
AB4C11D11 |
-209.16 |
2.76 |
-10.01 |
-0.42 |
0 |
|
|
8384 |
76991 |
2 |
OH5C6 |
AB5C6 |
-28.46 |
3.79 |
-8.83 |
-0.88 |
0 |
|
|
8385 |
76992 |
1 |
SO3C9H12 |
AB3C9D12 |
-135.18 |
5.39 |
-9.76 |
-0.44 |
0 |
|
|
8386 |
76993 |
1 |
O3C9H10 |
A3B9C10 |
-84.27 |
1.51 |
-9.46 |
-0.12 |
0 |
|
|
8387 |
76994 |
1 |
O3C31H46 |
A3B31C46 |
-149.14 |
5.24 |
-9.32 |
-0.39 |
0 |
|
|
8388 |
76997 |
1 |
O2C13H20 |
A2B13C20 |
-32.94 |
0.57 |
-8.86 |
0.25 |
0 |
|
|
8389 |
77002 |
1 |
O3H14C15 |
A3B14C15 |
-77.8 |
0.2 |
-9.72 |
-0.36 |
0 |
|
|
8390 |
77058 |
7 |
CH2 |
AB2 |
-14.33 |
0.63 |
-9.96 |
1.35 |
0 |
|
|
8391 |
77066 |
1 |
O2C11H12 |
A2B11C12 |
-51.12 |
1.32 |
-9.37 |
-0.34 |
0 |
|
|
8392 |
77069 |
2 |
O2C5H6 |
A2B5C6 |
-142.97 |
5.69 |
-8.93 |
-0.68 |
0 |
|
|
8393 |
77073 |
1 |
CaN4S4O14C54H62 |
AB4C4D14E54F62 |
-480.78 |
25.27 |
-7.58 |
-2.1 |
0 |
|
|
8394 |
77112 |
1 |
BrOSN3H10C17 |
ABCD3E10F17 |
104.42 |
5.62 |
-8.92 |
-1.57 |
0 |
|
|
8395 |
77129 |
1 |
NSC4H5 |
ABC4D5 |
27.15 |
1.48 |
-9.44 |
-0.39 |
0 |
|
|
8396 |
77130 |
1 |
SnC2F2H6 |
AB2C2D6 |
-138.67 |
4.6 |
-11.64 |
-0.3 |
0 |
|
|
8397 |
77132 |
1 |
P2O7C12H28 |
A2B7C12D28 |
-481.07 |
1.49 |
-10.98 |
0.18 |
0 |
|
|
8398 |
77142 |
1 |
NCl3C6H14 |
AB3C6D14 |
-69.85 |
1.4 |
-9.36 |
0.35 |
0 |
|
|
8399 |
77144 |
1 |
SnO2C10H24 |
AB2C10D24 |
-97.58 |
0.7 |
-7.87 |
-0.78 |
0 |
|
|
8400 |
77160 |
2 |
H11C14 |
A11B14 |
100.95 |
0.55 |
-8.12 |
-0.89 |
0 |
|
|
8401 |
77188 |
1 |
ClSiC18H39 |
ABC18D39 |
-139.8 |
2.11 |
-9.53 |
0.42 |
0 |
|
|
8402 |
77227 |
1 |
NOC12H17 |
ABC12D17 |
-50.8 |
3.32 |
-8.57 |
0.21 |
0 |
|
|
8403 |
77228 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-59.23 |
2.4 |
-9.3 |
-1.4 |
0 |
|
|
8404 |
77256 |
1 |
N3O4H5C8 |
A3B4C5D8 |
-9.1 |
5.61 |
-9.76 |
-2.46 |
0 |
|
|
8405 |
77262 |
1 |
NBr2O2H11C17 |
AB2C2D11E17 |
1.21 |
3.13 |
-9.31 |
-1.25 |
0 |
|
|
8406 |
77265 |
1 |
PCl3H20C25 |
AB3C20D25 |
69.61 |
16.51 |
-7.1 |
-1.3 |
0 |
|
|
8407 |
77411 |
6 |
NOC4H6 |
ABC4D6 |
-254.56 |
6.79 |
-10.34 |
-0.99 |
0 |
|
|
8408 |
77439 |
1 |
NPSO5C8H10 |
ABCD5E8F10 |
-175.72 |
5.79 |
-10.21 |
-1.65 |
0 |
|
|
8409 |
77447 |
1 |
NOC8H15 |
ABC8D15 |
-51.66 |
3.78 |
-9.45 |
0.74 |
0 |
|
|
8410 |
77463 |
1 |
N3C11H27 |
A3B11C27 |
-10.69 |
4.35 |
-8.3 |
2.68 |
0 |
|
|
8411 |
77501 |
2 |
OC4H7 |
AB4C7 |
-65.79 |
1.68 |
-9.26 |
1.12 |
0 |
|
|
8413 |
77524 |
2 |
NOH4C6 |
ABC4D6 |
-15.12 |
9.82 |
-8.78 |
-1.09 |
0 |
|
|
8414 |
77532 |
1 |
O2H7C12F15 |
A2B7C12D15 |
-818.99 |
3.28 |
-10.96 |
-0.6 |
0 |
|
|
8415 |
77540 |
1 |
NO3C9H11 |
AB3C9D11 |
-100.92 |
4.26 |
-8.9 |
0.16 |
0 |
|
|
8416 |
77543 |
1 |
O3C11H22 |
A3B11C22 |
-168.26 |
1.59 |
-9.89 |
0.64 |
0 |
|
|
8417 |
77544 |
1 |
O3C5H10 |
A3B5C10 |
-137.61 |
1.8 |
-10.01 |
0.55 |
0 |
|
|
8418 |
77560 |
1 |
SN2C9H12 |
AB2C9D12 |
38.26 |
2.65 |
-8.9 |
-0.19 |
0 |
|
|
8419 |
77565 |
1 |
SBr4C4 |
AB4C4 |
57.76 |
1.21 |
-9.67 |
-1.35 |
0 |
|
|
8420 |
77571 |
1 |
BrNC7H8 |
ABC7D8 |
25.08 |
2.71 |
-9.51 |
-0.18 |
0 |
|
|
8421 |
77577 |
2 |
NO2C3H6 |
AB2C3D6 |
-46.62 |
0.16 |
-10.99 |
-1.05 |
0 |
|
|
8422 |
77615 |
1 |
SC8H10 |
AB8C10 |
4.75 |
1.5 |
-8.51 |
0.12 |
0 |
|
|
8423 |
77616 |
1 |
BrNOH6C7 |
ABCD6E7 |
-19.46 |
4.09 |
-9.98 |
-0.72 |
0 |
|
|
8424 |
77643 |
2 |
OC5H7 |
AB5C7 |
-86.78 |
3.38 |
-8.66 |
0.14 |
0 |
|
|
8425 |
77648 |
1 |
OC10H14 |
AB10C14 |
-41.44 |
1.73 |
-8.85 |
0.5 |
0 |
|
|
8426 |
77649 |
2 |
NO3H10C18 |
AB3C10D18 |
-79.05 |
5.58 |
-9.36 |
-1.85 |
0 |
|
|
8427 |
77652 |
2 |
SC7H7 |
AB7C7 |
30.68 |
2.28 |
-8.8 |
-1.14 |
0 |
|
|
8428 |
77654 |
1 |
BrN2O3C15H15 |
AB2C3D15E15 |
-76.91 |
3.79 |
-8.82 |
-0.81 |
0 |
|
|
8429 |
77655 |
1 |
BrN2O3C17H19 |
AB2C3D17E19 |
-91.12 |
5.16 |
-8.64 |
-0.82 |
0 |
|
|
8430 |
77656 |
2 |
NO2C6H11 |
AB2C6D11 |
-184.54 |
1.06 |
-8.6 |
0.7 |
0 |
|
|
8431 |
77659 |
1 |
SiC7H16 |
AB7C16 |
-51.57 |
0.21 |
-9.15 |
1.72 |
0 |
|
|
8432 |
77662 |
1 |
NO2C10H13 |
AB2C10D13 |
-73.54 |
2.77 |
-9.14 |
0.24 |
0 |
|
|
8433 |
77664 |
1 |
O3C7H16 |
A3B7C16 |
-151.17 |
1.35 |
-9.66 |
1.74 |
0 |
|
|
8434 |
77665 |
1 |
OH14C15 |
AB14C15 |
-1.28 |
3.73 |
-9.35 |
-0.62 |
0 |
|
|
8435 |
77671 |
1 |
SCl2O3H4C7 |
AB2C3D4E7 |
-101.96 |
5.37 |
-11.4 |
-2.0 |
0 |
|
|
8436 |
77672 |
1 |
ClO3H5C12 |
AB3C5D12 |
-78.24 |
7.05 |
-10.08 |
-2.17 |
0 |
|
|
8437 |
77673 |
1 |
NOH9C10 |
ABC9D10 |
-20.68 |
5.22 |
-8.99 |
-0.76 |
0 |
|
|
8438 |
77679 |
1 |
PO4Cl15C18 |
AB4C15D18 |
-216.6 |
1.53 |
-9.82 |
-1.71 |
0 |
|
|
8440 |
77683 |
1 |
BrO3H7C8 |
AB3C7D8 |
-107.78 |
1.37 |
-9.45 |
-1.07 |
0 |