List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
52617 |
12015556 |
1 |
O3C16H24 |
A3B16C24 |
-110.84 |
1.71 |
-9.51 |
1.2 |
0 |
|
|
52618 |
12015557 |
1 |
O3C18H28 |
A3B18C28 |
-120.36 |
2.62 |
-9.61 |
1.02 |
0 |
|
|
52619 |
12015558 |
1 |
O3C16H24 |
A3B16C24 |
-86.23 |
2.44 |
-9.73 |
0.64 |
0 |
|
|
52620 |
12015559 |
1 |
O3C20H32 |
A3B20C32 |
-102.37 |
2.03 |
-9.7 |
1.03 |
0 |
|
|
52621 |
12015560 |
1 |
NOC12H21 |
ABC12D21 |
-75.42 |
3.2 |
-9.57 |
2.96 |
0 |
|
|
52622 |
12015561 |
1 |
O17C35H62 |
A17B35C62 |
-698.24 |
5.43 |
-8.72 |
-0.64 |
0 |
|
|
52623 |
12015562 |
1 |
NO3H9C14 |
AB3C9D14 |
6.83 |
4.37 |
-9.15 |
-1.7 |
0 |
|
|
52624 |
12015564 |
1 |
ZnCl2N4O8C56H116 |
AB2C4D8E56F116 |
-160.36 |
0.84 |
-8.31 |
-5.53 |
0 |
|
|
52627 |
12015574 |
1 |
SeN2O3C18H22 |
AB2C3D18E22 |
-78.84 |
2.6 |
-8.21 |
-0.42 |
0 |
|
|
52628 |
12015575 |
1 |
SeN2O3C19H24 |
AB2C3D19E24 |
-74.74 |
3.11 |
-8.59 |
-0.3 |
0 |
|
|
52629 |
12015576 |
1 |
SeN2O3C19H24 |
AB2C3D19E24 |
-78.1 |
1.63 |
-8.23 |
-0.37 |
0 |
|
|
52630 |
12015577 |
1 |
NOSeC16H21 |
ABCD16E21 |
-2.67 |
4.04 |
-8.24 |
0.15 |
0 |
|
|
52631 |
12015578 |
1 |
NOSeC18H25 |
ABCD18E25 |
6.31 |
3.29 |
-8.08 |
0.12 |
0 |
|
|
52632 |
12015580 |
1 |
NOSeC18H25 |
ABCD18E25 |
3.46 |
3.44 |
-8.06 |
0.12 |
0 |
|
|
52633 |
12015581 |
1 |
NOSeC18H25 |
ABCD18E25 |
-11.07 |
4.02 |
-7.97 |
0.24 |
0 |
|
|
52634 |
12015582 |
1 |
NOSeC12H15 |
ABCD12E15 |
13.21 |
4.07 |
-8.42 |
-0.21 |
0 |
|
|
52635 |
12015583 |
1 |
NOSeC12H15 |
ABCD12E15 |
18.81 |
3.56 |
-8.64 |
-0.38 |
0 |
|
|
52636 |
12015584 |
1 |
NOC8H15 |
ABC8D15 |
-14.95 |
1.4 |
-9.63 |
0.99 |
0 |
|
|
52637 |
12015588 |
1 |
S3F5C11H11 |
A3B5C11D11 |
-237.6 |
4.63 |
-8.88 |
-1.71 |
0 |
|
|
52638 |
12015589 |
1 |
O2Cl3H13C18 |
A2B3C13D18 |
-50.65 |
2.61 |
-9.36 |
-0.83 |
0 |
|
|
52639 |
12015592 |
1 |
NO4H17C23 |
AB4C17D23 |
-13.01 |
4.69 |
-9.43 |
-1.9 |
0 |
|
|
52640 |
12015594 |
1 |
N3O5C20H21 |
A3B5C20D21 |
-128.86 |
6.15 |
-9.52 |
-0.42 |
0 |
|
|
52641 |
12015598 |
1 |
OSC12H12 |
ABC12D12 |
-4.05 |
2.98 |
-8.26 |
-0.36 |
0 |
|
|
52642 |
12015601 |
1 |
SC7H12 |
AB7C12 |
28.07 |
1.97 |
-8.24 |
0.5 |
0 |
|
|
52643 |
12015602 |
1 |
SCo2O6C15H20 |
AB2C6D15E20 |
-267.24 |
29.67 |
-9.49 |
-5.44 |
0 |
|
|
52644 |
12015603 |
1 |
SCo2O8C12H20 |
AB2C8D12E20 |
-307.73 |
30.8 |
-9.17 |
-6.32 |
0 |
|
|
52645 |
12015604 |
1 |
SCo2O6C13H24 |
AB2C6D13E24 |
-295.36 |
37.41 |
-8.44 |
-4.9 |
0 |
|
|
52646 |
12015609 |
1 |
NC14H15 |
AB14C15 |
26.07 |
1.56 |
-8.36 |
0.32 |
0 |
|
|
52647 |
12015614 |
1 |
N2O3H22C23 |
A2B3C22D23 |
-60.47 |
3.42 |
-8.28 |
-0.6 |
0 |
|
|
52648 |
12015618 |
1 |
PSeO6H12C18 |
ABC6D12E18 |
-142.53 |
3.92 |
0.0 |
0.0 |
0 |
|
|
52649 |
12015619 |
1 |
SF3N3O4H16C17 |
AB3C3D4E16F17 |
-214.66 |
13.25 |
-8.97 |
-1.65 |
0 |
|
|
52650 |
12015620 |
1 |
NSiO4C21H43 |
ABC4D21E43 |
-307.32 |
2.04 |
-8.79 |
0.68 |
0 |
|
|
52651 |
12015626 |
1 |
NO2C7H11 |
AB2C7D11 |
-60.35 |
2.75 |
-8.7 |
-0.02 |
0 |
|
|
52652 |
12015627 |
1 |
NO2C16H21 |
AB2C16D21 |
-61.72 |
1.77 |
-8.58 |
0.09 |
0 |
|
|
52653 |
12015632 |
1 |
NO3C18H23 |
AB3C18D23 |
-96.86 |
4.46 |
-9.56 |
-0.01 |
0 |
|
|
52654 |
12015634 |
1 |
NO3C19H25 |
AB3C19D25 |
-103.96 |
4.37 |
-9.51 |
-0.11 |
0 |
|
|
52655 |
12015635 |
1 |
NO3C18H23 |
AB3C18D23 |
-93.71 |
3.8 |
-9.39 |
0.03 |
0 |
|
|
52656 |
12015637 |
1 |
BrIOC12H12 |
ABCD12E12 |
-16.98 |
2.06 |
-8.98 |
-1.27 |
0 |
|
|
52657 |
12015639 |
1 |
ClIOC12H12 |
ABCD12E12 |
-28.57 |
2.05 |
-8.9 |
-1.25 |
0 |
|
|
52658 |
12015640 |
1 |
IOC16H21 |
ABC16D21 |
-42.36 |
1.67 |
-8.6 |
-1.03 |
0 |
|
|
52659 |
12015641 |
2 |
INO2C11H15 |
ABC2D11E15 |
-148.53 |
1.26 |
-9.11 |
-1.23 |
0 |
|
|
52660 |
12015642 |
2 |
NO4C12H16 |
AB4C12D16 |
-352.65 |
3.12 |
-9.69 |
-0.88 |
0 |
|
|
52661 |
12015643 |
1 |
ON2H12C13 |
AB2C12D13 |
15.73 |
4.45 |
-8.98 |
-0.48 |
0 |
|
|
52662 |
12015646 |
1 |
ON2C12H12 |
AB2C12D12 |
1.52 |
4.02 |
-8.87 |
-0.81 |
0 |
|
|
52663 |
12015648 |
1 |
S2O4C13H24 |
A2B4C13D24 |
-199.9 |
1.72 |
-8.3 |
0.39 |
0 |
|
|
52664 |
12015649 |
1 |
NiN3O3H13C16 |
AB3C3D13E16 |
1.64 |
7.72 |
-9.09 |
-1.74 |
0 |
|
|
52665 |
12015650 |
1 |
NF3O3H10C13 |
AB3C3D10E13 |
-246.72 |
5.09 |
-10.19 |
-1.39 |
0 |
|
|
52666 |
12015651 |
1 |
SN2O5H22C23 |
AB2C5D22E23 |
-151.05 |
6.21 |
-8.73 |
-0.78 |
0 |
|
|
52667 |
12015652 |
1 |
NiN4O5C24H24 |
AB4C5D24E24 |
17.95 |
4.07 |
-7.56 |
-3.67 |
0 |
|
|
52668 |
12015655 |
1 |
N4O5H28C29 |
A4B5C28D29 |
-129.32 |
3.31 |
-9.17 |
-1.22 |
0 |