List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
5026 |
12473 |
1 |
NO2C5H5 |
AB2C5D5 |
-55.48 |
5.42 |
-9.84 |
-0.34 |
0 |
|
|
5027 |
12474 |
1 |
N3O7C42H45 |
A3B7C42D45 |
-212.34 |
2.15 |
-8.02 |
-1.25 |
0 |
|
|
5028 |
12475 |
1 |
O3C8H8 |
A3B8C8 |
-106.33 |
6.19 |
-10.96 |
-1.61 |
0 |
|
|
5029 |
12476 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
-72.14 |
5.26 |
-9.22 |
-0.92 |
0 |
|
|
5030 |
12478 |
1 |
NO5C14H19 |
AB5C14D19 |
-167.73 |
2.21 |
-8.47 |
-0.21 |
0 |
|
|
5031 |
12479 |
2 |
O2C5H5 |
A2B5C5 |
-145.99 |
3.48 |
-9.18 |
-0.21 |
0 |
|
|
5032 |
12481 |
1 |
ClO2H5C7 |
AB2C5D7 |
-57.8 |
5.05 |
-9.49 |
-1.05 |
0 |
|
|
5033 |
12482 |
1 |
NSH11C13 |
ABC11D13 |
69.73 |
3.79 |
-8.92 |
-0.46 |
0 |
|
|
5034 |
12485 |
1 |
OSN2C5H6 |
ABC2D5E6 |
-21.8 |
2.08 |
-9.43 |
-0.91 |
0 |
|
|
5035 |
12488 |
2 |
HI2C3 |
AB2C3 |
94.94 |
0.0 |
-9.66 |
-1.72 |
0 |
|
|
5036 |
12490 |
1 |
O5H6C8 |
A5B6C8 |
-186.61 |
6.84 |
-10.69 |
-1.54 |
0 |
|
|
5037 |
12491 |
2 |
O2C6H7 |
A2B6C7 |
-161.14 |
2.17 |
-10.43 |
-0.98 |
0 |
|
|
5038 |
12492 |
1 |
ClSN3O3C14H20 |
ABC3D3E14F20 |
-100.58 |
4.31 |
-9.01 |
-1.1 |
0 |
|
|
5039 |
12495 |
1 |
INO2H4C6 |
ABC2D4E6 |
36.42 |
4.01 |
-10.15 |
-1.72 |
0 |
|
|
5041 |
12498 |
1 |
Cl2N5C11H17 |
A2B5C11D17 |
-2.94 |
4.86 |
-9.28 |
-0.67 |
0 |
|
|
5042 |
12500 |
1 |
C9H10 |
A9B10 |
27.99 |
0.96 |
-8.94 |
0.16 |
0 |
|
|
5043 |
12501 |
1 |
NSC7H7 |
ABC7D7 |
47.91 |
1.31 |
-9.19 |
-0.17 |
0 |
|
|
5045 |
12507 |
1 |
OC9H10 |
AB9C10 |
-2.87 |
1.61 |
-8.58 |
0.11 |
0 |
|
|
5046 |
12509 |
2 |
NOC2H5 |
ABC2D5 |
-76.01 |
3.86 |
-9.53 |
0.49 |
0 |
|
|
5047 |
12510 |
1 |
ClIH4C6 |
ABC4D6 |
30.37 |
0.25 |
-9.48 |
-1.1 |
0 |
|
|
5048 |
12511 |
2 |
OC3H4 |
AB3C4 |
-88.82 |
0.01 |
-10.3 |
0.09 |
0 |
|
|
5049 |
12512 |
1 |
OC6H14 |
AB6C14 |
-76.19 |
1.49 |
-9.61 |
2.46 |
0 |
|
|
5050 |
12513 |
1 |
IC5H11 |
AB5C11 |
-16.06 |
2.59 |
-9.58 |
-0.64 |
0 |
|
|
5051 |
12514 |
1 |
SC6H8 |
AB6C8 |
7.5 |
0.12 |
-8.95 |
0.23 |
0 |
|
|
5052 |
12516 |
1 |
O2C7H12 |
A2B7C12 |
-102.46 |
2.32 |
-10.25 |
0.1 |
0 |
|
|
5053 |
12518 |
1 |
NS2C6H13 |
AB2C6D13 |
-12.4 |
3.42 |
-8.47 |
0.45 |
0 |
|
|
5054 |
12519 |
1 |
PC6H7 |
AB6C7 |
25.18 |
1.77 |
-8.99 |
0.23 |
0 |
|
|
5055 |
12520 |
3 |
OC6H12 |
AB6C12 |
-221.67 |
2.35 |
-10.3 |
0.52 |
0 |
|
|
5056 |
12523 |
2 |
C10H21 |
A10B21 |
-105.01 |
0.19 |
-10.37 |
3.98 |
0 |
|
|
5058 |
12526 |
2 |
NOSC4H8 |
ABCD4E8 |
-111.03 |
5.74 |
-8.9 |
-1.11 |
0 |
|
|
5059 |
12527 |
1 |
IC6H13 |
AB6C13 |
-18.91 |
1.93 |
-9.75 |
-0.75 |
0 |
|
|
5060 |
12528 |
1 |
SC6H14 |
AB6C14 |
-28.88 |
1.88 |
-8.49 |
0.88 |
0 |
|
|
5061 |
12529 |
2 |
OC3H6 |
AB3C6 |
-107.23 |
1.73 |
-11.05 |
0.5 |
0 |
|
|
5062 |
12530 |
1 |
O2C13H26 |
A2B13C26 |
-147.08 |
4.89 |
-10.85 |
0.67 |
0 |
|
|
5063 |
12532 |
1 |
NC18H35 |
AB18C35 |
-56.09 |
3.95 |
-10.73 |
1.34 |
0 |
|
|
5064 |
12533 |
1 |
OC18H36 |
AB18C36 |
-92.28 |
2.89 |
-9.88 |
0.51 |
0 |
|
|
5066 |
12536 |
2 |
O3C12H16 |
A3B12C16 |
-260.13 |
9.17 |
-9.73 |
-0.39 |
0 |
|
|
5067 |
12540 |
1 |
ClSnH15C18 |
ABC15D18 |
64.58 |
3.63 |
-9.72 |
-0.28 |
0 |
|
|
5068 |
12542 |
1 |
FNOC2H4 |
ABCD2E4 |
-94.62 |
2.53 |
-10.77 |
0.7 |
0 |
|
|
5069 |
12544 |
1 |
NO5C26H43 |
AB5C26D43 |
-289.35 |
5.94 |
-10.09 |
0.23 |
0 |
|
|
5070 |
12545 |
1 |
NO2C18H19 |
AB2C18D19 |
-35.72 |
2.51 |
-8.35 |
-0.35 |
0 |
|
|
5071 |
12548 |
1 |
O6H10C15 |
A6B10C15 |
-206.62 |
1.77 |
-9.37 |
-1.99 |
0 |
|
|
5072 |
12549 |
6 |
H3C4 |
A3B4 |
95.25 |
0.04 |
-8.93 |
-0.14 |
0 |
|
|
5073 |
12550 |
1 |
N2O9C28H40 |
A2B9C28D40 |
-413.31 |
9.18 |
-8.89 |
-1.07 |
0 |
|
|
5074 |
12551 |
1 |
O2N3C9H13 |
A2B3C9D13 |
-70.28 |
5.84 |
-9.53 |
-0.15 |
0 |
|
|
5075 |
12552 |
1 |
NOC19H25 |
ABC19D25 |
-4.93 |
1.58 |
-8.71 |
0.17 |
0 |
|
|
5076 |
12553 |
1 |
NO2H15C17 |
AB2C15D17 |
-41.11 |
3.53 |
-8.64 |
-0.34 |
0 |
|
|
5077 |
12554 |
1 |
N4O5H16C19 |
A4B5C16D19 |
-4.39 |
2.44 |
-8.99 |
-2.5 |
0 |
|
|
5078 |
12555 |
1 |
ON3C19H23 |
AB3C19D23 |
43.99 |
1.89 |
-8.26 |
-0.19 |
0 |
|
|
5079 |
12557 |
1 |
ClNaSN3O5H17C19 |
ABCD3E5F17G19 |
-173.17 |
4.96 |
-9.25 |
-0.69 |
0 |