List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4000 |
10567 |
1 |
OCl2C3H4 |
AB2C3D4 |
-58.96 |
3.71 |
-10.59 |
-0.57 |
0 |
|
|
4001 |
10568 |
2 |
CI2 |
AB2 |
87.74 |
0.0 |
-9.18 |
-2.65 |
0 |
|
|
4002 |
10569 |
2 |
OC10H15 |
AB10C15 |
-121.94 |
2.5 |
-8.59 |
0.77 |
0 |
|
|
4003 |
10570 |
1 |
O3C19H30 |
A3B19C30 |
-187.33 |
3.34 |
-9.85 |
0.57 |
0 |
|
|
4004 |
10572 |
1 |
FO6C23H31 |
AB6C23D31 |
-332.96 |
4.02 |
-9.84 |
-0.58 |
0 |
|
|
4005 |
10576 |
1 |
O2C19H28 |
A2B19C28 |
-17.53 |
6.34 |
-9.04 |
0.06 |
0 |
|
|
4006 |
10577 |
1 |
O9C26H32 |
A9B26C32 |
-414.04 |
3.76 |
-8.71 |
0.28 |
0 |
|
|
4007 |
10578 |
1 |
IN2S2C23H23 |
AB2C2D23E23 |
97.71 |
6.07 |
-7.89 |
-1.12 |
0 |
|
|
4008 |
10579 |
1 |
N2S2C23H23 |
A2B2C23D23 |
85.79 |
3.09 |
0.0 |
0.0 |
1 |
|
|
4009 |
10580 |
2 |
OC20H26 |
AB20C26 |
-24.64 |
2.07 |
-7.95 |
-0.41 |
0 |
|
|
4010 |
10583 |
3 |
C5H8 |
A5B8 |
3.0 |
1.21 |
-9.44 |
1.29 |
0 |
|
|
4011 |
10584 |
1 |
NaSO3H5C6 |
ABC3D5E6 |
-137.86 |
6.96 |
-9.64 |
0.08 |
0 |
|
|
4012 |
10585 |
1 |
SO3C8H10 |
AB3C8D10 |
-104.63 |
4.42 |
-10.32 |
-0.74 |
0 |
|
|
4013 |
10586 |
1 |
OC15H26 |
AB15C26 |
-78.47 |
2.61 |
-9.01 |
1.66 |
0 |
|
|
4014 |
10588 |
1 |
O2Cl3C4H5 |
A2B3C4D5 |
-109.96 |
2.64 |
-11.06 |
-0.84 |
0 |
|
|
4015 |
10589 |
1 |
FeC2O4 |
AB2C4 |
-30.22 |
4.91 |
-9.93 |
-1.35 |
0 |
|
|
4016 |
10590 |
1 |
O4C21H34 |
A4B21C34 |
-226.24 |
7.67 |
-9.88 |
0.0 |
0 |
|
|
4017 |
10593 |
1 |
O4C21H34 |
A4B21C34 |
-226.32 |
6.27 |
-10.03 |
0.01 |
0 |
|
|
4018 |
10594 |
1 |
NSO6C26H45 |
ABC6D26E45 |
-334.3 |
5.16 |
-10.1 |
0.0 |
0 |
|
|
4019 |
10595 |
1 |
NSO5C26H45 |
ABC5D26E45 |
-292.16 |
8.2 |
-10.11 |
0.05 |
0 |
|
|
4021 |
10600 |
1 |
NC8H13 |
AB8C13 |
-5.98 |
1.6 |
-8.26 |
1.44 |
0 |
|
|
4022 |
10603 |
2 |
O3H7C8 |
A3B7C8 |
-198.45 |
3.62 |
-8.61 |
-0.34 |
0 |
|
|
4023 |
10605 |
1 |
NO5C20H23 |
AB5C20D23 |
-123.91 |
5.26 |
-8.67 |
-0.42 |
0 |
|
|
4024 |
10607 |
2 |
O4C11H11 |
A4B11C11 |
-260.2 |
3.84 |
-8.35 |
-0.52 |
0 |
|
|
4025 |
10610 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-69.82 |
2.7 |
-8.33 |
-0.41 |
0 |
|
|
4026 |
10611 |
1 |
O5C13H14 |
A5B13C14 |
-204.31 |
6.75 |
-9.3 |
-1.23 |
0 |
|
|
4027 |
10613 |
2 |
NH2C3O3 |
AB2C3D3 |
-74.72 |
6.2 |
-10.67 |
-2.01 |
0 |
|
|
4028 |
10614 |
1 |
H16C19 |
A16B19 |
71.18 |
0.14 |
-9.25 |
0.23 |
0 |
|
|
4029 |
10615 |
1 |
NOH13C14 |
ABC13D14 |
4.5 |
4.24 |
-8.77 |
-0.25 |
0 |
|
|
4030 |
10616 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-86.75 |
4.52 |
-8.75 |
0.05 |
0 |
|
|
4031 |
10617 |
1 |
O3H14C20 |
A3B14C20 |
-53.89 |
7.79 |
-9.21 |
-1.65 |
0 |
|
|
4032 |
10618 |
1 |
ON3C12H15 |
AB3C12D15 |
18.32 |
4.74 |
-8.17 |
-0.23 |
0 |
|
|
4033 |
10619 |
1 |
BrNOC19H32 |
ABCD19E32 |
-71.38 |
10.92 |
-7.94 |
0.03 |
0 |
|
|
4034 |
10620 |
1 |
NOC19H32 |
ABC19D32 |
-31.81 |
1.7 |
0.0 |
0.0 |
1 |
|
|
4035 |
10621 |
1 |
O15C28H34 |
A15B28C34 |
-610.15 |
1.85 |
-8.79 |
-0.6 |
0 |
|
|
4036 |
10622 |
1 |
O15C28H32 |
A15B28C32 |
-596.1 |
6.25 |
-9.05 |
-1.21 |
0 |
|
|
4037 |
10625 |
1 |
N5C10H13 |
A5B10C13 |
70.21 |
9.65 |
-9.06 |
-0.52 |
0 |
|
|
4038 |
10626 |
1 |
NO2C8H13 |
AB2C8D13 |
-81.0 |
3.75 |
-9.15 |
0.41 |
0 |
|
|
4039 |
10627 |
1 |
NO7C20H31 |
AB7C20D31 |
-315.89 |
1.2 |
-9.09 |
-0.01 |
0 |
|
|
4040 |
10629 |
1 |
OSH6C8 |
ABC6D8 |
0.23 |
2.66 |
-8.43 |
-0.63 |
0 |
|
|
4041 |
10630 |
1 |
NO3C7H11 |
AB3C7D11 |
-144.37 |
2.16 |
-10.76 |
-0.21 |
0 |
|
|
4042 |
10631 |
1 |
O3C22H32 |
A3B22C32 |
-112.06 |
2.71 |
-8.76 |
-0.31 |
0 |
|
|
4043 |
10632 |
2 |
OC10H16 |
AB10C16 |
-142.89 |
4.04 |
-9.23 |
1.38 |
0 |
|
|
4044 |
10633 |
2 |
OC10H16 |
AB10C16 |
-135.07 |
5.2 |
-9.6 |
0.91 |
0 |
|
|
4045 |
10634 |
1 |
O2C19H30 |
A2B19C30 |
-122.64 |
1.88 |
-9.21 |
1.29 |
0 |
|
|
4046 |
10635 |
1 |
O2C19H30 |
A2B19C30 |
-111.99 |
5.18 |
-8.98 |
0.18 |
0 |
|
|
4047 |
10636 |
1 |
NaSH5O5C10 |
ABC5D5E10 |
-173.1 |
8.49 |
-9.56 |
-1.55 |
0 |
|
|
4048 |
10641 |
1 |
NC20H23 |
AB20C23 |
50.89 |
2.02 |
-8.62 |
-0.12 |
0 |
|
|
4049 |
10642 |
1 |
O11H20C21 |
A11B20C21 |
-389.87 |
8.23 |
-9.02 |
-1.84 |
0 |
|
|
4050 |
10643 |
1 |
O7C20H20 |
A7B20C20 |
-186.74 |
1.86 |
-8.6 |
-0.86 |
0 |