List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
205545 |
80119464 |
1 |
N3O5C13H19 |
A3B5C13D19 |
-133.99 |
7.66 |
-10.35 |
-1.51 |
0 |
|
|
205546 |
80119465 |
1 |
N2O4C15H26 |
A2B4C15D26 |
-221.94 |
5.03 |
-9.75 |
0.38 |
0 |
|
|
205547 |
80119485 |
1 |
N3O4C14H27 |
A3B4C14D27 |
-219.38 |
8.44 |
-10.1 |
0.57 |
0 |
|
|
205548 |
80119691 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-79.64 |
6.82 |
-8.1 |
-0.48 |
0 |
|
|
205549 |
80119819 |
1 |
Cl2F2H12C15 |
A2B2C12D15 |
-85.86 |
1.69 |
-9.52 |
-0.61 |
0 |
|
|
205550 |
80119820 |
1 |
BrClF2H12C15 |
ABC2D12E15 |
-74.01 |
4.07 |
-9.48 |
-0.68 |
0 |
|
|
205551 |
80120336 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-55.87 |
1.95 |
-8.16 |
-0.55 |
0 |
|
|
205552 |
80120375 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-120.51 |
6.07 |
-9.06 |
-0.99 |
0 |
|
|
205553 |
80120376 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-119.26 |
5.92 |
-8.94 |
-0.95 |
0 |
|
|
205554 |
80120377 |
1 |
NO3C17H19 |
AB3C17D19 |
-95.84 |
2.6 |
-8.42 |
-0.6 |
0 |
|
|
205555 |
80120378 |
1 |
NO4C16H17 |
AB4C16D17 |
-123.98 |
5.48 |
-8.7 |
-0.71 |
0 |
|
|
205556 |
80120727 |
1 |
NOCl2C10H11 |
ABC2D10E11 |
-16.9 |
1.13 |
-9.48 |
-0.61 |
0 |
|
|
205557 |
80120728 |
1 |
NO3C11H15 |
AB3C11D15 |
-85.22 |
2.19 |
-8.43 |
-0.18 |
0 |
|
|
205558 |
80120729 |
1 |
NO2C14H19 |
AB2C14D19 |
-52.17 |
5.36 |
-8.78 |
0.16 |
0 |
|
|
205559 |
80120730 |
1 |
NOC9H17 |
ABC9D17 |
-22.33 |
3.78 |
-9.23 |
2.01 |
0 |
|
|
205560 |
80120731 |
1 |
NOC13H21 |
ABC13D21 |
-34.72 |
3.77 |
-9.17 |
2.01 |
0 |
|
|
205561 |
80120732 |
1 |
NOC14H19 |
ABC14D19 |
-15.39 |
3.09 |
-8.96 |
0.47 |
0 |
|
|
205562 |
80120799 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-174.24 |
4.49 |
-9.25 |
0.41 |
0 |
|
|
205563 |
80120864 |
1 |
ClF2H15C16 |
AB2C15D16 |
-82.47 |
2.68 |
-9.39 |
-0.56 |
0 |
|
|
205564 |
80120890 |
1 |
OF2C12H14 |
AB2C12D14 |
-144.18 |
1.64 |
-9.54 |
-0.36 |
0 |
|
|
205565 |
80121103 |
1 |
BrNOC12H16 |
ABCD12E16 |
-6.2 |
3.72 |
-9.45 |
-0.21 |
0 |
|
|
205566 |
80121140 |
1 |
ClNO2C6H10 |
ABC2D6E10 |
-87.6 |
1.81 |
-10.11 |
0.03 |
0 |
|
|
205567 |
80121216 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-170.04 |
5.43 |
-8.77 |
0.66 |
0 |
|
|
205568 |
80121347 |
1 |
NC15H23 |
AB15C23 |
-4.39 |
1.11 |
-8.73 |
0.62 |
0 |
|
|
205569 |
80121348 |
1 |
NOC16H25 |
ABC16D25 |
-39.48 |
1.71 |
-8.57 |
0.32 |
0 |
|
|
205570 |
80121349 |
1 |
NF2C13H17 |
AB2C13D17 |
-76.39 |
3.58 |
-9.02 |
-0.25 |
0 |
|
|
205571 |
80121739 |
1 |
SN2O4C14H24 |
AB2C4D14E24 |
-158.66 |
6.61 |
-9.34 |
0.39 |
0 |
|
|
205572 |
80121815 |
1 |
N8C13H14 |
A8B13C14 |
178.78 |
7.32 |
-9.46 |
-1.52 |
0 |
|
|
205573 |
80121816 |
1 |
N8C13H14 |
A8B13C14 |
178.24 |
8.17 |
-9.59 |
-1.48 |
0 |
|
|
205574 |
80122026 |
1 |
ON6C12H16 |
AB6C12D16 |
69.33 |
3.14 |
-8.56 |
-0.92 |
0 |
|
|
205575 |
80122413 |
1 |
N5C11H13 |
A5B11C13 |
83.58 |
2.67 |
-8.83 |
-1.08 |
0 |
|
|
205576 |
80122773 |
2 |
ON2C6H6 |
AB2C6D6 |
6.7 |
5.16 |
-9.3 |
-1.43 |
0 |
|
|
205577 |
80122831 |
1 |
N7C11H17 |
A7B11C17 |
115.85 |
10.46 |
-9.24 |
-1.3 |
0 |
|
|
205578 |
80122832 |
1 |
N7C13H21 |
A7B13C21 |
111.49 |
10.26 |
-9.17 |
-1.19 |
0 |
|
|
205579 |
80123006 |
1 |
ON7C10H13 |
AB7C10D13 |
100.66 |
6.19 |
-9.73 |
-1.48 |
0 |
|
|
205580 |
80123412 |
1 |
BrClNOF2H9C15 |
ABCDE2F9G15 |
-97.75 |
1.64 |
-9.14 |
-1.16 |
0 |
|
|
205581 |
80123447 |
1 |
SN2C17H22 |
AB2C17D22 |
23.56 |
2.07 |
-8.3 |
0.0 |
0 |
|
|
205582 |
80123691 |
1 |
SO2C18H20 |
AB2C18D20 |
-40.59 |
3.76 |
-8.44 |
-0.8 |
0 |
|
|
205583 |
80123692 |
1 |
ClO2S2C16H17 |
AB2C2D16E17 |
-39.97 |
2.52 |
-8.54 |
-1.41 |
0 |
|
|
205584 |
80123693 |
1 |
SO2C14H20 |
AB2C14D20 |
-80.42 |
6.0 |
-8.45 |
0.29 |
0 |
|
|
205585 |
80123694 |
1 |
NOSC15H19 |
ABCD15E19 |
-7.65 |
5.64 |
-8.72 |
0.03 |
0 |
|
|
205586 |
80123695 |
1 |
NSO2C15H25 |
ABC2D15E25 |
-101.62 |
4.13 |
-9.12 |
0.39 |
0 |
|
|
205587 |
80123696 |
1 |
NSO2C13H21 |
ABC2D13E21 |
-93.0 |
3.82 |
-9.07 |
0.45 |
0 |
|
|
205588 |
80123697 |
1 |
NOSC16H27 |
ABCD16E27 |
-65.95 |
2.78 |
-8.52 |
0.22 |
0 |
|
|
205589 |
80124255 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-104.89 |
4.2 |
-8.81 |
0.03 |
0 |
|
|
205590 |
80124382 |
1 |
NOBr2F2H13C15 |
ABC2D2E13F15 |
-75.34 |
3.5 |
-8.83 |
-0.9 |
0 |
|
|
205591 |
80124383 |
1 |
NOBr2F2H13C15 |
ABC2D2E13F15 |
-77.01 |
3.68 |
-8.91 |
-0.78 |
0 |
|
|
205592 |
80124384 |
1 |
BrClNOF2H13C15 |
ABCDE2F13G15 |
-87.06 |
3.54 |
-8.73 |
-0.92 |
0 |
|
|
205593 |
80124385 |
1 |
BrNOF2C16H16 |
ABCD2E16F16 |
-87.85 |
3.21 |
-8.84 |
-0.65 |
0 |
|
|
205594 |
80124386 |
1 |
SN3C17H17 |
AB3C17D17 |
56.61 |
3.68 |
-8.86 |
-0.83 |
0 |