List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
257050 |
103143318 |
1 |
FNOSH12C17 |
ABCDE12F17 |
-2.65 |
4.59 |
-8.81 |
-1.37 |
0 |
|
|
257051 |
103143324 |
1 |
ClNOSH12C17 |
ABCDE12F17 |
35.89 |
7.19 |
-8.82 |
-1.36 |
0 |
|
|
257052 |
103143333 |
1 |
ON2C18H22 |
AB2C18D22 |
-1.82 |
4.92 |
-9.17 |
-0.9 |
0 |
|
|
257053 |
103143339 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-20.5 |
4.05 |
-9.06 |
-0.85 |
0 |
|
|
257054 |
103143389 |
1 |
NO2C15H17 |
AB2C15D17 |
-40.25 |
4.06 |
-9.36 |
-1.09 |
0 |
|
|
257055 |
103143396 |
1 |
NO3C17H19 |
AB3C17D19 |
-78.77 |
4.77 |
-9.44 |
-1.18 |
0 |
|
|
257056 |
103143400 |
1 |
NO2C18H21 |
AB2C18D21 |
-40.35 |
5.01 |
-9.26 |
-0.86 |
0 |
|
|
257057 |
103143417 |
1 |
ON2H14C16 |
AB2C14D16 |
27.51 |
3.72 |
-9.23 |
-0.86 |
0 |
|
|
257058 |
103143442 |
1 |
FNOSH14C17 |
ABCDE14F17 |
-19.06 |
3.93 |
-9.05 |
-0.8 |
0 |
|
|
257059 |
103143445 |
1 |
NOSH17C18 |
ABCD17E18 |
18.54 |
4.24 |
-8.61 |
-0.96 |
0 |
|
|
257060 |
103143446 |
1 |
NOSH17C18 |
ABCD17E18 |
18.83 |
4.52 |
-8.78 |
-0.81 |
0 |
|
|
257061 |
103143451 |
1 |
ON2C15H20 |
AB2C15D20 |
-7.56 |
4.61 |
-8.95 |
-0.61 |
0 |
|
|
257062 |
103143465 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-36.91 |
3.96 |
-8.98 |
-0.64 |
0 |
|
|
257063 |
103143491 |
1 |
BrON2H13C16 |
ABC2D13E16 |
28.26 |
4.8 |
-8.91 |
-1.02 |
0 |
|
|
257064 |
103143494 |
1 |
ClNOF2H8C11 |
ABCD2E8F11 |
-108.97 |
4.37 |
-9.7 |
-1.3 |
0 |
|
|
257065 |
103143497 |
1 |
NO2C15H17 |
AB2C15D17 |
-49.95 |
5.41 |
-9.4 |
-0.96 |
0 |
|
|
257066 |
103143504 |
1 |
NOC17H19 |
ABC17D19 |
-5.53 |
3.19 |
-9.15 |
-0.97 |
0 |
|
|
257067 |
103143523 |
1 |
NO2C18H23 |
AB2C18D23 |
-63.63 |
3.3 |
-9.19 |
-0.77 |
0 |
|
|
257068 |
103143534 |
1 |
NO2C11H21 |
AB2C11D21 |
-119.51 |
1.11 |
-8.9 |
2.12 |
0 |
|
|
257069 |
103143537 |
4 |
NC4H4 |
AB4C4 |
94.1 |
3.38 |
-8.9 |
-0.72 |
0 |
|
|
257070 |
103143541 |
1 |
ON2C14H18 |
AB2C14D18 |
-4.85 |
1.96 |
-9.2 |
-0.84 |
0 |
|
|
257071 |
103143550 |
1 |
SN3C16H17 |
AB3C16D17 |
72.82 |
1.37 |
-8.99 |
-0.59 |
0 |
|
|
257072 |
103143551 |
1 |
SN3C17H19 |
AB3C17D19 |
63.38 |
3.66 |
-8.27 |
-1.1 |
0 |
|
|
257073 |
103143554 |
1 |
SN3C17H19 |
AB3C17D19 |
68.6 |
2.42 |
-8.98 |
-0.73 |
0 |
|
|
257074 |
103143577 |
1 |
BrSN2C17H17 |
ABC2D17E17 |
74.57 |
4.58 |
-9.09 |
-0.7 |
0 |
|
|
257075 |
103143601 |
1 |
SN2C16H20 |
AB2C16D20 |
32.71 |
1.86 |
-8.69 |
-0.8 |
0 |
|
|
257076 |
103143604 |
1 |
SN2C17H22 |
AB2C17D22 |
26.06 |
1.94 |
-8.58 |
-0.78 |
0 |
|
|
257077 |
103143606 |
1 |
N5H11C12 |
A5B11C12 |
103.55 |
3.47 |
-9.62 |
-1.2 |
0 |
|
|
257078 |
103143610 |
1 |
N2C19H26 |
A2B19C26 |
18.22 |
1.67 |
-8.96 |
-0.61 |
0 |
|
|
257079 |
103143622 |
2 |
NC9H12 |
AB9C12 |
22.85 |
1.66 |
-8.99 |
-0.63 |
0 |
|
|
257080 |
103143636 |
1 |
BrSN2H15C17 |
ABC2D15E17 |
83.48 |
4.31 |
-8.61 |
-0.84 |
0 |
|
|
257081 |
103143637 |
1 |
BrSN2H15C17 |
ABC2D15E17 |
78.3 |
4.57 |
-9.12 |
-0.78 |
0 |
|
|
257082 |
103143638 |
2 |
NC7H8 |
AB7C8 |
38.89 |
2.17 |
-8.96 |
-0.58 |
0 |
|
|
257083 |
103143651 |
1 |
N3C18H25 |
A3B18C25 |
31.59 |
3.4 |
-8.65 |
-0.68 |
0 |
|
|
257084 |
103143662 |
1 |
N3C18H25 |
A3B18C25 |
36.79 |
3.42 |
-8.42 |
-0.9 |
0 |
|
|
257085 |
103143663 |
1 |
N3C16H23 |
A3B16C23 |
32.4 |
3.45 |
-8.54 |
-0.86 |
0 |
|
|
257086 |
103143669 |
1 |
N3C13H17 |
A3B13C17 |
50.13 |
3.13 |
-8.82 |
-0.69 |
0 |
|
|
257087 |
103143676 |
2 |
NC9H11 |
AB9C11 |
54.42 |
2.6 |
-8.94 |
-0.57 |
0 |
|
|
257088 |
103143680 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-43.79 |
3.74 |
-9.02 |
-0.61 |
0 |
|
|
257089 |
103143693 |
2 |
NSC7H8 |
ABC7D8 |
46.5 |
3.06 |
-8.72 |
-0.86 |
0 |
|
|
257090 |
103143708 |
1 |
N2C17H22 |
A2B17C22 |
47.19 |
2.26 |
-8.98 |
-0.62 |
0 |
|
|
257091 |
103143713 |
1 |
N5H11C12 |
A5B11C12 |
112.89 |
3.6 |
-9.27 |
-0.85 |
0 |
|
|
257092 |
103143719 |
1 |
SN3H13C17 |
AB3C13D17 |
106.84 |
3.99 |
-9.14 |
-1.03 |
0 |
|
|
257093 |
103143727 |
1 |
ON2C18H18 |
AB2C18D18 |
28.36 |
4.24 |
-8.68 |
-0.84 |
0 |
|
|
257094 |
103143737 |
4 |
NC4H4 |
AB4C4 |
85.02 |
2.02 |
-9.2 |
-0.86 |
0 |
|
|
257095 |
103143744 |
1 |
N4C17H18 |
A4B17C18 |
84.92 |
3.81 |
-8.85 |
-0.57 |
0 |
|
|
257096 |
103143748 |
1 |
N3C17H17 |
A3B17C17 |
72.56 |
4.5 |
-9.41 |
-0.98 |
0 |
|
|
257097 |
103143752 |
1 |
BrFN2H12C16 |
ABC2D12E16 |
33.71 |
1.71 |
-9.31 |
-0.91 |
0 |
|
|
257098 |
103143755 |
1 |
N4C15H16 |
A4B15C16 |
87.46 |
7.61 |
-9.15 |
-0.77 |
0 |
|
|
257099 |
103143761 |
1 |
ON2C17H22 |
AB2C17D22 |
-6.8 |
1.6 |
-9.25 |
-0.86 |
0 |