List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
246550 |
103061234 |
1 |
NO2C11H23 |
AB2C11D23 |
-116.3 |
1.02 |
-8.58 |
2.05 |
0 |
|
|
246551 |
103061235 |
2 |
N3C6H11 |
A3B6C11 |
55.47 |
3.15 |
-8.64 |
-0.61 |
0 |
|
|
246552 |
103061237 |
1 |
N5C13H23 |
A5B13C23 |
37.38 |
1.35 |
-8.74 |
-0.47 |
0 |
|
|
246553 |
103061239 |
1 |
ON5C11H19 |
AB5C11D19 |
4.91 |
1.51 |
-9.09 |
-0.63 |
0 |
|
|
246554 |
103061241 |
1 |
NO2C11H21 |
AB2C11D21 |
-88.53 |
1.58 |
-8.82 |
2.26 |
0 |
|
|
246555 |
103061242 |
1 |
N5C12H21 |
A5B12C21 |
38.7 |
3.33 |
-8.87 |
-0.42 |
0 |
|
|
246556 |
103061246 |
1 |
ON5C11H19 |
AB5C11D19 |
7.66 |
2.22 |
-8.75 |
-0.46 |
0 |
|
|
246557 |
103061251 |
1 |
NO2C11H23 |
AB2C11D23 |
-117.18 |
1.4 |
-8.72 |
2.24 |
0 |
|
|
246558 |
103061252 |
1 |
ON5C12H21 |
AB5C12D21 |
3.55 |
2.56 |
-8.79 |
-0.52 |
0 |
|
|
246559 |
103061271 |
1 |
O2N5C11H19 |
A2B5C11D19 |
-30.13 |
1.91 |
-8.88 |
-0.66 |
0 |
|
|
246560 |
103061275 |
1 |
ON5C12H21 |
AB5C12D21 |
8.0 |
3.11 |
-8.69 |
-0.41 |
0 |
|
|
246561 |
103061281 |
2 |
N3C7H14 |
A3B7C14 |
41.56 |
2.66 |
-8.57 |
-0.39 |
0 |
|
|
246562 |
103061284 |
4 |
N2C3H3 |
A2B3C3 |
172.11 |
3.26 |
-9.15 |
-1.08 |
0 |
|
|
246563 |
103061286 |
1 |
O2N7C8H9 |
A2B7C8D9 |
102.21 |
6.35 |
-9.69 |
-1.31 |
0 |
|
|
246564 |
103061291 |
1 |
ON6C9H10 |
AB6C9D10 |
57.32 |
6.36 |
-9.38 |
-1.03 |
0 |
|
|
246565 |
103061293 |
1 |
ON5C9H13 |
AB5C9D13 |
14.94 |
4.58 |
-8.92 |
-0.67 |
0 |
|
|
246566 |
103061294 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-110.83 |
0.6 |
-8.24 |
2.21 |
0 |
|
|
246567 |
103061295 |
3 |
N2C3H4 |
A2B3C4 |
89.51 |
4.22 |
-9.19 |
-0.94 |
0 |
|
|
246568 |
103061303 |
1 |
NO3C12H23 |
AB3C12D23 |
-155.96 |
1.43 |
-8.92 |
2.12 |
0 |
|
|
246569 |
103061304 |
2 |
N3C4H5 |
A3B4C5 |
101.95 |
3.86 |
-9.42 |
-1.1 |
0 |
|
|
246570 |
103061305 |
1 |
NO3C12H23 |
AB3C12D23 |
-151.46 |
1.42 |
-8.7 |
2.03 |
0 |
|
|
246571 |
103061308 |
1 |
NO2C15H27 |
AB2C15D27 |
-127.49 |
1.54 |
-8.65 |
2.27 |
0 |
|
|
246572 |
103061309 |
2 |
N3C5H7 |
A3B5C7 |
87.72 |
1.76 |
-9.14 |
-0.77 |
0 |
|
|
246573 |
103061318 |
1 |
NO2C16H23 |
AB2C16D23 |
-79.33 |
1.38 |
-8.97 |
0.28 |
0 |
|
|
246574 |
103061320 |
1 |
ON5H13C14 |
AB5C13D14 |
68.89 |
6.14 |
-8.86 |
-1.15 |
0 |
|
|
246575 |
103061322 |
2 |
N3C5H7 |
A3B5C7 |
87.74 |
5.44 |
-9.09 |
-0.89 |
0 |
|
|
246576 |
103061344 |
1 |
O2N6C11H16 |
A2B6C11D16 |
-28.7 |
3.69 |
-8.96 |
-0.78 |
0 |
|
|
246577 |
103061380 |
1 |
O2N6C9H12 |
A2B6C9D12 |
-12.21 |
2.62 |
-9.2 |
-0.81 |
0 |
|
|
246578 |
103061381 |
1 |
NO2C15H27 |
AB2C15D27 |
-121.64 |
1.42 |
-8.67 |
2.24 |
0 |
|
|
246579 |
103061382 |
1 |
O2N6C9H10 |
A2B6C9D10 |
-8.78 |
5.66 |
-9.24 |
-1.05 |
0 |
|
|
246580 |
103061383 |
1 |
NO2C13H25 |
AB2C13D25 |
-97.45 |
1.46 |
-8.79 |
2.26 |
0 |
|
|
246581 |
103061384 |
1 |
ClO2N5H12C13 |
AB2C5D12E13 |
7.39 |
2.87 |
-8.96 |
-0.82 |
0 |
|
|
246582 |
103061385 |
1 |
BrNSO2C12H18 |
ABCD2E12F18 |
-67.3 |
2.84 |
-9.16 |
-0.42 |
0 |
|
|
246583 |
103061387 |
1 |
O2N5C14H15 |
A2B5C14D15 |
9.79 |
3.2 |
-8.74 |
-0.71 |
0 |
|
|
246584 |
103061388 |
1 |
NO2C15H23 |
AB2C15D23 |
-88.06 |
0.8 |
-7.96 |
0.59 |
0 |
|
|
246585 |
103061389 |
1 |
ON5C15H17 |
AB5C15D17 |
37.3 |
4.27 |
-8.85 |
-0.64 |
0 |
|
|
246586 |
103061391 |
1 |
FNO2C13H18 |
ABC2D13E18 |
-120.79 |
3.87 |
-8.26 |
0.09 |
0 |
|
|
246587 |
103061392 |
1 |
O2N5H13C14 |
A2B5C13D14 |
6.71 |
4.34 |
-8.86 |
-0.85 |
0 |
|
|
246588 |
103061394 |
1 |
OSN5C9H11 |
ABC5D9E11 |
28.0 |
3.94 |
-8.92 |
-0.88 |
0 |
|
|
246589 |
103061395 |
1 |
NO3C14H21 |
AB3C14D21 |
-109.09 |
1.84 |
-8.59 |
0.18 |
0 |
|
|
246590 |
103061396 |
1 |
O2N5C11H15 |
A2B5C11D15 |
-28.95 |
3.13 |
-8.9 |
-0.67 |
0 |
|
|
246591 |
103061400 |
1 |
NO3C12H23 |
AB3C12D23 |
-151.07 |
1.19 |
-8.88 |
2.15 |
0 |
|
|
246592 |
103061405 |
1 |
O3N5C9H11 |
A3B5C9D11 |
-51.79 |
3.67 |
-8.99 |
-0.76 |
0 |
|
|
246593 |
103061407 |
1 |
N7C9H13 |
A7B9C13 |
96.75 |
1.93 |
-9.32 |
-0.88 |
0 |
|
|
246594 |
103061412 |
1 |
ON7H11C12 |
AB7C11D12 |
98.99 |
2.43 |
-8.96 |
-1.27 |
0 |
|
|
246595 |
103061414 |
1 |
SO2N5C8H13 |
AB2C5D8E13 |
-16.98 |
6.05 |
-8.99 |
-0.69 |
0 |
|
|
246596 |
103061415 |
1 |
NO3C13H25 |
AB3C13D25 |
-162.43 |
1.56 |
-8.89 |
2.13 |
0 |
|
|
246597 |
103061418 |
3 |
N2C3H4 |
A2B3C4 |
101.49 |
3.45 |
-9.04 |
-0.74 |
0 |
|
|
246598 |
103061419 |
1 |
NO2C15H23 |
AB2C15D23 |
-89.57 |
1.99 |
-8.8 |
0.48 |
0 |
|
|
246599 |
103061421 |
2 |
NOC7H14 |
ABC7D14 |
-111.19 |
2.78 |
-8.45 |
2.14 |
0 |