List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
280000 |
103846230 |
1 |
NO3C8H17 |
AB3C8D17 |
-162.19 |
3.79 |
-9.92 |
1.02 |
0 |
|
|
280001 |
103846238 |
1 |
NO2C12H23 |
AB2C12D23 |
-138.08 |
4.01 |
-9.75 |
1.1 |
0 |
|
|
280002 |
103846274 |
1 |
N4C9H10 |
A4B9C10 |
76.56 |
7.3 |
-8.45 |
-0.15 |
0 |
|
|
280003 |
103846285 |
2 |
NOC6H7 |
ABC6D7 |
-51.67 |
3.96 |
-8.72 |
-0.22 |
0 |
|
|
280004 |
103846289 |
1 |
ON3C11H19 |
AB3C11D19 |
-21.53 |
2.85 |
-9.43 |
-0.61 |
0 |
|
|
280005 |
103846296 |
2 |
NOC5H10 |
ABC5D10 |
-113.87 |
3.21 |
-9.47 |
0.75 |
0 |
|
|
280006 |
103846299 |
1 |
ON3C11H21 |
AB3C11D21 |
-59.17 |
4.7 |
-9.11 |
0.56 |
0 |
|
|
280007 |
103846300 |
1 |
ClON3C9H10 |
ABC3D9E10 |
-6.56 |
1.85 |
-9.03 |
-0.76 |
0 |
|
|
280008 |
103846320 |
1 |
NO3C11H15 |
AB3C11D15 |
-117.59 |
5.89 |
-8.8 |
-0.03 |
0 |
|
|
280009 |
103846321 |
1 |
NOC13H21 |
ABC13D21 |
-59.26 |
2.12 |
-8.56 |
0.29 |
0 |
|
|
280010 |
103846347 |
1 |
N2O3C8H10 |
A2B3C8D10 |
-32.35 |
7.37 |
-9.03 |
-1.01 |
0 |
|
|
280011 |
103846350 |
1 |
N3C11H11 |
A3B11C11 |
71.02 |
6.45 |
-8.86 |
-0.5 |
0 |
|
|
280012 |
103846351 |
1 |
FNOH12C13 |
ABCD12E13 |
-39.12 |
3.68 |
-8.37 |
-0.14 |
0 |
|
|
280013 |
103846358 |
1 |
BrF3N3C13H13 |
AB3C3D13E13 |
-111.81 |
6.86 |
-8.77 |
-0.3 |
0 |
|
|
280014 |
103846361 |
1 |
BrOF3N3H9C11 |
ABC3D3E9F11 |
-119.83 |
6.88 |
-9.07 |
-0.86 |
0 |
|
|
280015 |
103846364 |
1 |
SO5C15H20 |
AB5C15D20 |
-193.66 |
5.11 |
-9.35 |
-0.69 |
0 |
|
|
280016 |
103846366 |
1 |
SN2O4C14H16 |
AB2C4D14E16 |
-122.81 |
7.61 |
-9.35 |
-0.7 |
0 |
|
|
280017 |
103846367 |
1 |
NSO3C13H15 |
ABC3D13E15 |
-80.32 |
6.95 |
-9.99 |
-0.77 |
0 |
|
|
280018 |
103846374 |
1 |
NO2S2C14H19 |
AB2C2D14E19 |
-47.17 |
4.89 |
-8.86 |
-1.26 |
0 |
|
|
280019 |
103846377 |
1 |
NSO2C12H21 |
ABC2D12E21 |
-75.41 |
2.04 |
-8.65 |
0.54 |
0 |
|
|
280020 |
103846396 |
1 |
BrNOC16H16 |
ABCD16E16 |
-0.46 |
1.48 |
-8.44 |
-0.18 |
0 |
|
|
280021 |
103846408 |
1 |
BrON2H15C16 |
ABC2D15E16 |
0.89 |
4.49 |
-8.69 |
-0.37 |
0 |
|
|
280022 |
103846409 |
1 |
BrON2C15H19 |
ABC2D15E19 |
-10.84 |
4.49 |
-9.28 |
0.01 |
0 |
|
|
280023 |
103846414 |
1 |
BrON2C13H17 |
ABC2D13E17 |
-33.02 |
2.32 |
-9.6 |
-0.19 |
0 |
|
|
280024 |
103846423 |
1 |
BrON2C16H17 |
ABC2D16E17 |
9.82 |
1.85 |
-9.18 |
-0.13 |
0 |
|
|
280025 |
103846443 |
1 |
BrSN2O2C15H23 |
ABC2D2E15F23 |
-78.84 |
6.23 |
-9.17 |
0.07 |
0 |
|
|
280026 |
103846445 |
1 |
BrSN2C16H19 |
ABC2D16E19 |
27.52 |
2.49 |
-9.16 |
-0.43 |
0 |
|
|
280027 |
103846450 |
1 |
BrON2C15H21 |
ABC2D15E21 |
-37.64 |
3.63 |
-9.38 |
-0.12 |
0 |
|
|
280028 |
103846470 |
1 |
BrON2C16H23 |
ABC2D16E23 |
-28.63 |
3.65 |
-8.66 |
0.08 |
0 |
|
|
280029 |
103846471 |
1 |
BrNOC14H18 |
ABCD14E18 |
-14.45 |
1.86 |
-9.32 |
-0.06 |
0 |
|
|
280030 |
103846473 |
1 |
BrNSC15H20 |
ABCD15E20 |
5.3 |
1.64 |
-8.55 |
-0.19 |
0 |
|
|
280031 |
103846475 |
1 |
BrON2C16H19 |
ABC2D16E19 |
17.91 |
2.29 |
-9.29 |
0.0 |
0 |
|
|
280032 |
103846480 |
1 |
BrNSC15H20 |
ABCD15E20 |
4.86 |
0.67 |
-8.62 |
0.0 |
0 |
|
|
280033 |
103846485 |
1 |
BrN2C16H23 |
AB2C16D23 |
11.44 |
3.17 |
-8.72 |
0.02 |
0 |
|
|
280034 |
103846489 |
1 |
BrNSC14H20 |
ABCD14E20 |
2.91 |
3.73 |
-8.74 |
0.11 |
0 |
|
|
280035 |
103846493 |
1 |
BrSN2C16H19 |
ABC2D16E19 |
35.7 |
2.09 |
-9.38 |
-0.39 |
0 |
|
|
280036 |
103846495 |
1 |
BrNOC16H22 |
ABCD16E22 |
-41.16 |
1.35 |
-9.15 |
-0.19 |
0 |
|
|
280037 |
103846501 |
1 |
BrSN2C14H15 |
ABC2D14E15 |
53.07 |
2.51 |
-9.16 |
-0.65 |
0 |
|
|
280038 |
103846503 |
1 |
BrNOH8C10 |
ABCD8E10 |
40.47 |
4.7 |
-9.4 |
-0.45 |
0 |
|
|
280039 |
103846517 |
1 |
SO3N4C6H8 |
AB3C4D6E8 |
-23.21 |
5.17 |
-9.6 |
-1.72 |
0 |
|
|
280040 |
103846518 |
1 |
NC14H19 |
AB14C19 |
20.09 |
2.15 |
-8.98 |
0.52 |
0 |
|
|
280041 |
103846519 |
1 |
ON2C12H18 |
AB2C12D18 |
-35.18 |
4.56 |
-9.5 |
0.04 |
0 |
|
|
280042 |
103846523 |
2 |
ON2C5H8 |
AB2C5D8 |
-50.44 |
4.17 |
-9.31 |
-1.22 |
0 |
|
|
280043 |
103846525 |
1 |
NO2C12H15 |
AB2C12D15 |
-51.92 |
5.95 |
-9.52 |
-0.39 |
0 |
|
|
280044 |
103846536 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-83.96 |
3.38 |
-9.2 |
-0.56 |
0 |
|
|
280045 |
103846542 |
1 |
OSCl2N2C10H14 |
ABC2D2E10F14 |
-27.66 |
2.95 |
-9.12 |
-1.14 |
0 |
|
|
280046 |
103846545 |
1 |
O4C11H14 |
A4B11C14 |
-143.17 |
5.3 |
-9.66 |
-0.02 |
0 |
|
|
280047 |
103846548 |
1 |
BrFNO2C10H11 |
ABCD2E10F11 |
-115.85 |
1.58 |
-9.57 |
-0.71 |
0 |
|
|
280048 |
103846549 |
1 |
NOC13H21 |
ABC13D21 |
-48.77 |
1.74 |
-8.81 |
0.23 |
0 |
|
|
280049 |
103846552 |
1 |
NSC13H21 |
ABC13D21 |
-16.19 |
2.27 |
-8.7 |
-0.16 |
0 |
|
|
280050 |
103846557 |
1 |
ON2C12H18 |
AB2C12D18 |
-19.03 |
3.86 |
-9.26 |
0.9 |
0 |
|
|
280051 |
103846571 |
1 |
ON2F3C9H11 |
AB2C3D9E11 |
-177.23 |
3.08 |
-9.57 |
-0.49 |
0 |
|
|
280052 |
103846577 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-104.65 |
2.49 |
-9.2 |
-0.1 |
0 |
|
|
280053 |
103846600 |
1 |
NSO2C8H13 |
ABC2D8E13 |
-40.25 |
5.47 |
-8.34 |
-0.08 |
0 |
|
|
280054 |
103846601 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-13.22 |
7.26 |
-8.49 |
-0.79 |
0 |
|
|
280055 |
103846608 |
1 |
ON2C12H18 |
AB2C12D18 |
-34.33 |
1.44 |
-9.09 |
-0.13 |
0 |
|
|
280056 |
103846624 |
1 |
N2O2C11H22 |
A2B2C11D22 |
-119.59 |
5.32 |
-9.58 |
1.34 |
0 |
|
|
280057 |
103846628 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-12.2 |
5.63 |
-8.65 |
-0.95 |
0 |
|
|
280058 |
103846630 |
1 |
O2N3C14H21 |
A2B3C14D21 |
15.92 |
6.8 |
-8.64 |
-0.93 |
0 |
|
|
280059 |
103846632 |
1 |
ON2C11H26 |
AB2C11D26 |
-87.87 |
3.91 |
-8.78 |
2.72 |
0 |
|
|
280060 |
103846633 |
1 |
O2N5C13H15 |
A2B5C13D15 |
3.53 |
6.13 |
-9.43 |
-0.98 |
0 |
|
|
280061 |
103846643 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-99.18 |
6.51 |
-8.76 |
-1.05 |
0 |
|
|
280062 |
103846644 |
1 |
NO4C16H17 |
AB4C16D17 |
-54.68 |
4.46 |
-9.32 |
-1.25 |
0 |
|
|
280063 |
103846650 |
1 |
SO2N3C12H13 |
AB2C3D12E13 |
34.61 |
7.85 |
-8.67 |
-0.91 |
0 |
|
|
280064 |
103846651 |
1 |
SO2N3C13H15 |
AB2C3D13E15 |
30.5 |
7.78 |
-8.66 |
-0.89 |
0 |
|
|
280065 |
103846656 |
1 |
ON4C7H8 |
AB4C7D8 |
59.19 |
4.67 |
-10.24 |
-0.45 |
0 |
|
|
280066 |
103846661 |
1 |
F2O2N3H11C12 |
A2B2C3D11E12 |
-19.97 |
5.03 |
-9.61 |
-1.91 |
0 |
|
|
280067 |
103846676 |
1 |
BrFNOH5C9 |
ABCDE5F9 |
-5.74 |
4.04 |
-9.38 |
-0.83 |
0 |
|
|
280068 |
103846678 |
1 |
NSO4C13H15 |
ABC4D13E15 |
-73.2 |
2.97 |
-9.3 |
-1.76 |
0 |
|
|
280069 |
103846685 |
1 |
OSN3C10H11 |
ABC3D10E11 |
30.77 |
4.41 |
-9.3 |
-1.59 |
0 |
|
|
280070 |
103846692 |
1 |
OSN3C14H19 |
ABC3D14E19 |
5.95 |
4.51 |
-9.04 |
-1.29 |
0 |
|
|
280071 |
103846696 |
2 |
ON2C8H15 |
AB2C8D15 |
-92.54 |
5.47 |
-9.31 |
0.68 |
0 |
|
|
280072 |
103846697 |
1 |
SO2N3C15H27 |
AB2C3D15E27 |
-100.54 |
2.6 |
-9.28 |
-0.45 |
0 |
|
|
280073 |
103846702 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-73.16 |
3.78 |
-9.24 |
-0.65 |
0 |
|
|
280074 |
103846703 |
1 |
N2O2C15H30 |
A2B2C15D30 |
-144.29 |
2.59 |
-8.77 |
0.86 |
0 |