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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
6609 |
69225 |
1 |
NSH5C6O6 |
ABC5D6E6 |
-148.21 |
7.75 |
-10.91 |
-1.84 |
0 |
|
|
6610 |
69226 |
2 |
O2H3C4 |
A2B3C4 |
-132.58 |
5.07 |
-10.41 |
-1.34 |
0 |
|
|
6611 |
69227 |
1 |
SN2O5C6H6 |
AB2C5D6E6 |
-114.02 |
6.43 |
-10.14 |
-1.56 |
0 |
|
|
6612 |
69231 |
2 |
OH6C7 |
AB6C7 |
-35.16 |
3.01 |
-9.14 |
-0.78 |
0 |
|
|
6613 |
69232 |
1 |
ON2C15H16 |
AB2C15D16 |
-8.57 |
4.76 |
-8.57 |
0.02 |
0 |
|
|
6614 |
69235 |
1 |
ClNO2C5H12 |
ABC2D5E12 |
-141.21 |
5.33 |
-10.71 |
0.34 |
0 |
|
|
6615 |
69236 |
1 |
NO2C5H11 |
AB2C5D11 |
-103.29 |
2.7 |
-9.89 |
0.79 |
0 |
|
|
6616 |
69242 |
1 |
AsC6H15 |
AB6C15 |
-2.04 |
0.73 |
-8.55 |
2.13 |
0 |
|
|
6617 |
69246 |
1 |
NSO3C7H9 |
ABC3D7E9 |
-110.32 |
5.93 |
-9.0 |
-0.7 |
0 |
|
|
6618 |
69249 |
1 |
Br2H6C7 |
A2B6C7 |
26.01 |
2.06 |
-9.78 |
-1.02 |
0 |
|
|
6619 |
69252 |
1 |
OCl2H4C7 |
AB2C4D7 |
-29.8 |
3.69 |
-10.17 |
-1.51 |
0 |
|
|
6620 |
69254 |
1 |
ClNOH6C7 |
ABCD6E7 |
-27.76 |
4.54 |
-9.88 |
-0.68 |
0 |
|
|
6621 |
69255 |
1 |
N2O6H8C9 |
A2B6C8D9 |
-72.54 |
4.73 |
-11.71 |
-2.3 |
0 |
|
|
6622 |
69260 |
1 |
NO4H7C8 |
AB4C7D8 |
-64.48 |
3.06 |
-11.0 |
-1.69 |
0 |
|
|
6623 |
69269 |
2 |
NOC4H5 |
ABC4D5 |
18.23 |
6.83 |
-8.78 |
-1.18 |
0 |
|
|
6624 |
69271 |
2 |
OC9H18 |
AB9C18 |
-175.17 |
2.17 |
-10.5 |
0.69 |
0 |
|
|
6625 |
69273 |
1 |
IO2H7C8 |
AB2C7D8 |
-43.65 |
1.66 |
-9.76 |
-1.19 |
0 |
|
|
6626 |
69275 |
1 |
NO3C7H7 |
AB3C7D7 |
-29.66 |
4.79 |
-10.6 |
-1.48 |
0 |
|
|
6627 |
69277 |
1 |
NOC10H13 |
ABC10D13 |
-38.18 |
4.46 |
-9.71 |
-0.24 |
0 |
|
|
6628 |
69287 |
2 |
O3C9H16 |
A3B9C16 |
-325.72 |
3.59 |
-10.77 |
0.66 |
0 |
|
|
6629 |
69288 |
2 |
NOH6C7 |
ABC6D7 |
-28.1 |
0.06 |
-9.16 |
-0.88 |
0 |
|
|
6630 |
69291 |
1 |
C15H16 |
A15B16 |
27.88 |
0.62 |
-9.0 |
0.4 |
0 |
|
|
6631 |
69296 |
1 |
ON2H8C9 |
AB2C8D9 |
9.38 |
2.29 |
-9.2 |
-0.28 |
0 |
|
|
6632 |
69297 |
1 |
NOC14H15 |
ABC14D15 |
32.6 |
1.1 |
-9.32 |
0.25 |
0 |
|
|
6633 |
69298 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-41.71 |
3.58 |
-8.86 |
-0.34 |
0 |
|
|
6634 |
69306 |
2 |
OC4H5 |
AB4C5 |
-71.19 |
0.58 |
-8.86 |
0.3 |
0 |
|
|
6635 |
69308 |
1 |
NO3C8H9 |
AB3C8D9 |
-27.79 |
7.08 |
-9.53 |
-1.35 |
0 |
|
|
6636 |
69313 |
1 |
O2C9H10 |
A2B9C10 |
-56.15 |
2.4 |
-9.14 |
0.04 |
0 |
|
|
6637 |
69333 |
1 |
NOC7H9 |
ABC7D9 |
-0.42 |
1.22 |
-8.72 |
0.24 |
0 |
|
|
6638 |
69354 |
1 |
O3C6H10 |
A3B6C10 |
-142.53 |
2.46 |
-10.39 |
0.54 |
0 |
|
|
6639 |
69355 |
1 |
O3C7H16 |
A3B7C16 |
-155.95 |
2.74 |
-10.05 |
1.33 |
0 |
|
|
6640 |
69356 |
1 |
INC2H2 |
ABC2D2 |
42.23 |
3.33 |
-10.48 |
-1.9 |
0 |
|
|
6641 |
69359 |
1 |
ClSC2O3H5 |
ABC2D3E5 |
-132.75 |
3.62 |
-11.84 |
-1.8 |
0 |
|
|
6642 |
69361 |
1 |
NOC6H13 |
ABC6D13 |
-66.6 |
4.08 |
-9.41 |
0.69 |
0 |
|
|
6643 |
69362 |
1 |
O3C5H10 |
A3B5C10 |
-161.64 |
6.16 |
-10.82 |
0.85 |
0 |
|
|
6644 |
69364 |
1 |
OCl2C3H4 |
AB2C3D4 |
-67.39 |
1.38 |
-11.18 |
-0.58 |
0 |
|
|
6645 |
69366 |
1 |
ClO2C3H5 |
AB2C3D5 |
-104.45 |
2.84 |
-10.94 |
0.08 |
0 |
|
|
6646 |
69367 |
1 |
NO2C4H9 |
AB2C4D9 |
-33.52 |
4.46 |
-11.07 |
-0.43 |
0 |
|
|
6647 |
69370 |
2 |
SC3H3 |
AB3C3 |
25.95 |
1.84 |
-8.8 |
-0.45 |
0 |
|
|
6648 |
69371 |
1 |
NO2C5H5 |
AB2C5D5 |
-67.34 |
3.14 |
-9.23 |
-0.46 |
0 |
|
|
6649 |
69374 |
2 |
OC4H5 |
AB4C5 |
-72.33 |
2.23 |
-9.76 |
-0.13 |
0 |
|
|
6650 |
69376 |
1 |
O3C14H26 |
A3B14C26 |
-186.73 |
4.31 |
-10.72 |
0.18 |
0 |
|
|
6651 |
69382 |
2 |
NSO2C4H8 |
ABC2D4E8 |
-186.91 |
8.68 |
-9.26 |
-1.35 |
0 |
|
|
6652 |
69390 |
1 |
IOC3H7 |
ABC3D7 |
-44.22 |
1.79 |
-9.84 |
-0.85 |
0 |
|
|
6653 |
69402 |
6 |
CH |
AB |
98.49 |
0.0 |
-10.74 |
1.39 |
0 |
|
|
6654 |
69413 |
1 |
N3C4H5 |
A3B4C5 |
63.92 |
2.86 |
-10.48 |
0.33 |
0 |
|
|
6655 |
69414 |
1 |
NOC8H17 |
ABC8D17 |
-83.55 |
3.9 |
-10.44 |
1.16 |
0 |
|
|
6656 |
69416 |
2 |
NSC2H2 |
ABC2D2 |
75.17 |
1.61 |
-9.76 |
-0.91 |
0 |
|
|
6657 |
69419 |
1 |
NOC7H15 |
ABC7D15 |
-31.38 |
1.24 |
-9.97 |
0.77 |
0 |
|
|
6658 |
69420 |
2 |
OC4H9 |
AB4C9 |
-122.16 |
3.52 |
-10.22 |
2.8 |
0 |
|
|
6659 |
69424 |
1 |
NC16H31 |
AB16C31 |
-46.15 |
3.74 |
-10.62 |
1.37 |
0 |
|
|
6660 |
69428 |
1 |
PCl3O4H12C18 |
AB3C4D12E18 |
-169.78 |
0.74 |
-9.39 |
-0.52 |
0 |
|
|
6661 |
69429 |
1 |
PSO3C21H21 |
ABC3D21E21 |
-140.84 |
1.31 |
-9.23 |
-0.28 |
0 |
|
|
6662 |
69435 |
1 |
NO3C4H9 |
AB3C4D9 |
-141.47 |
5.14 |
-9.87 |
0.43 |
0 |
|
|
6663 |
69439 |
1 |
Cl4H4I4O5C20 |
A4B4C4D5E20 |
-71.48 |
5.3 |
-9.47 |
-1.87 |
0 |
|
|
6664 |
69440 |
2 |
O3H4C7 |
A3B4C7 |
-174.31 |
0.03 |
-9.15 |
-1.59 |
0 |
|
|
6665 |
69441 |
1 |
O3I4C8 |
A3B4C8 |
6.14 |
5.13 |
-9.25 |
-2.44 |
0 |
|
|
6666 |
69443 |
1 |
O6C13H14 |
A6B13C14 |
-249.34 |
3.28 |
-9.53 |
-0.36 |
0 |
|
|
6667 |
69451 |
1 |
NO2C6H7 |
AB2C6D7 |
-66.82 |
2.66 |
-9.13 |
0.01 |
0 |
|
|
6668 |
69452 |
2 |
OC4H5 |
AB4C5 |
-82.22 |
1.83 |
-8.74 |
0.22 |
0 |
|
|
6669 |
69454 |
1 |
O8C15H24 |
A8B15C24 |
-377.94 |
6.1 |
-10.71 |
0.07 |
0 |
|
|
6670 |
69456 |
6 |
C3H5 |
A3B5 |
-49.04 |
0.07 |
-8.65 |
0.76 |
0 |
|
|
6671 |
69461 |
1 |
O5H8C9 |
A5B8C9 |
-186.76 |
6.73 |
-10.02 |
-1.27 |
0 |
|
|
6672 |
69462 |
1 |
NO3H7C12 |
AB3C7D12 |
-34.3 |
5.08 |
-9.25 |
-1.91 |
0 |
|
|
6673 |
69467 |
1 |
OSC5H6 |
ABC5D6 |
-18.83 |
1.78 |
-9.3 |
-0.43 |
0 |
|
|
6674 |
69469 |
1 |
SO5H6C7 |
AB5C6D7 |
-178.86 |
0.98 |
-11.01 |
-1.65 |
0 |
|
|
6675 |
69470 |
1 |
O2C7H10 |
A2B7C10 |
-88.43 |
5.43 |
-10.36 |
-0.01 |
0 |
|
|
6676 |
69471 |
1 |
NO4C7H7 |
AB4C7D7 |
-63.13 |
7.83 |
-9.44 |
-1.38 |
0 |
|
|
6677 |
69498 |
1 |
NSO2Cl3H8C12 |
ABC2D3E8F12 |
-47.71 |
2.67 |
-9.58 |
-1.36 |
0 |
|
|
6678 |
69518 |
2 |
NOC8H8 |
ABC8D8 |
-36.51 |
5.46 |
-9.53 |
-0.53 |
0 |
|
|
6679 |
69521 |
3 |
OC2H2 |
AB2C2 |
-97.04 |
4.35 |
-9.43 |
-0.61 |
0 |
|
|
6680 |
69522 |
1 |
NO2C8H17 |
AB2C8D17 |
-118.45 |
5.26 |
-10.38 |
0.75 |
0 |
|
|
6681 |
69549 |
2 |
HF2O2C4 |
AB2C2D4 |
-302.45 |
0.15 |
-11.21 |
-2.71 |
0 |
|
|
6682 |
69568 |
1 |
ClN2O2C6H15 |
AB2C2D6E15 |
-142.88 |
7.26 |
-10.35 |
0.73 |
0 |
|
|
6683 |
69578 |
1 |
HC3F3 |
AB3C3 |
-103.75 |
2.89 |
-12.6 |
0.18 |
0 |
|
|
6684 |
69602 |
1 |
ON3C7H11 |
AB3C7D11 |
-26.9 |
1.82 |
-9.32 |
0.57 |
0 |
|
|
6685 |
69604 |
1 |
AlFC8H18 |
ABC8D18 |
-156.42 |
2.41 |
-9.83 |
2.21 |
0 |
|
|
6686 |
69606 |
1 |
O3C11H20 |
A3B11C20 |
-171.23 |
6.4 |
-10.43 |
0.33 |
0 |
|
|
6688 |
69609 |
1 |
OPC3H9 |
ABC3D9 |
-95.63 |
5.22 |
-10.11 |
2.65 |
0 |
|
|
6689 |
69611 |
1 |
CPCl2O2H3 |
ABC2D2E3 |
-165.01 |
2.51 |
-11.73 |
-0.76 |
0 |
|
|
6690 |
69612 |
1 |
FSC2O2H3 |
ABC2D2E3 |
-112.28 |
5.49 |
-11.99 |
-0.74 |
0 |
|
|
6691 |
69614 |
1 |
SC2O3F4 |
AB2C3D4 |
-298.41 |
1.18 |
-12.37 |
-1.78 |
0 |
|
|
6692 |
69616 |
1 |
F2H2O2C3Cl4 |
A2B2C2D3E4 |
-227.21 |
1.81 |
-11.44 |
-1.08 |
0 |
|
|
6693 |
69617 |
1 |
H2O2C3F6 |
A2B2C3D6 |
-405.27 |
2.5 |
-12.58 |
-0.25 |
0 |
|
|
6694 |
69618 |
1 |
IC11F23 |
AB11C23 |
-1113.76 |
1.42 |
-11.05 |
-2.78 |
0 |
|
|
6695 |
69619 |
1 |
OH5C10F17 |
AB5C10D17 |
-896.31 |
2.03 |
-11.24 |
-0.64 |
0 |
|
|
6696 |
69621 |
1 |
Cl2O2C5F6 |
A2B2C5D6 |
-374.8 |
0.77 |
-11.98 |
-1.58 |
0 |
|
|
6697 |
69623 |
1 |
BrC3H3F4 |
AB3C3D4 |
-208.88 |
1.1 |
-11.01 |
-0.84 |
0 |
|
|
6698 |
69624 |
1 |
C3H3F5 |
A3B3C5 |
-257.54 |
1.87 |
-13.0 |
1.26 |
0 |
|
|
6699 |
69625 |
1 |
OC4F4H4 |
AB4C4D4 |
-234.34 |
1.8 |
-10.42 |
0.18 |
0 |
|
|
6700 |
69627 |
1 |
SiO4C12H28 |
AB4C12D28 |
-316.78 |
0.26 |
-9.9 |
0.56 |
0 |
|
|
6701 |
69633 |
1 |
ClNOC2H4 |
ABCD2E4 |
-15.23 |
1.8 |
-10.0 |
-0.03 |
0 |
|
|
6702 |
69634 |
1 |
HNO3C4F6 |
ABC3D4E6 |
-381.02 |
2.4 |
-11.49 |
-1.89 |
0 |
|
|
6703 |
69637 |
1 |
BrO4C7H11 |
AB4C7D11 |
-182.0 |
3.42 |
-10.98 |
-1.29 |
0 |
|
|
6704 |
69638 |
1 |
NCl3C6H10 |
AB3C6D10 |
-20.67 |
3.43 |
-8.83 |
-0.08 |
0 |
|
|
6705 |
69639 |
1 |
ClPC4H10 |
ABC4D10 |
-57.38 |
2.5 |
-9.26 |
0.95 |
0 |
|
|
6706 |
69643 |
1 |
Cl3O3C9H17 |
A3B3C9D17 |
-178.24 |
2.36 |
-10.3 |
0.39 |
0 |
|
|
6707 |
69644 |
1 |
O2C11H24 |
A2B11C24 |
-137.27 |
0.48 |
-10.02 |
2.07 |
0 |
|
|
6708 |
69645 |
1 |
OPC2Cl3H4 |
ABC2D3E4 |
-126.26 |
3.09 |
-11.08 |
-0.7 |
0 |
|
|
6709 |
69649 |
8 |
CH2 |
AB2 |
-24.14 |
0.09 |
-9.54 |
1.46 |
0 |