List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
327050 |
126688922 |
1 |
O12C17H24 |
A12B17C24 |
-536.93 |
5.61 |
-11.0 |
-0.37 |
0 |
|
|
327051 |
126688923 |
1 |
O8C17H20 |
A8B17C20 |
-334.39 |
5.4 |
-9.8 |
-0.36 |
0 |
|
|
327052 |
126688925 |
2 |
OC10H21 |
AB10C21 |
-175.88 |
1.95 |
-9.36 |
2.35 |
0 |
|
|
327053 |
126688928 |
2 |
O5C10H12 |
A5B10C12 |
-422.47 |
7.57 |
-10.34 |
-0.67 |
0 |
|
|
327054 |
126688930 |
1 |
O10C21H26 |
A10B21C26 |
-422.54 |
3.9 |
-9.65 |
-0.21 |
0 |
|
|
327055 |
126688933 |
1 |
NSO8C20H31 |
ABC8D20E31 |
-392.47 |
1.62 |
-9.88 |
-0.88 |
0 |
|
|
327056 |
126688934 |
1 |
N2O7C24H24 |
A2B7C24D24 |
-123.72 |
3.19 |
-8.76 |
-1.51 |
0 |
|
|
327057 |
126688936 |
1 |
N2O5C24H24 |
A2B5C24D24 |
-38.56 |
2.42 |
-8.33 |
-0.61 |
0 |
|
|
327058 |
126688941 |
1 |
P2C6O7H16 |
A2B6C7D16 |
-451.3 |
5.62 |
-10.76 |
0.02 |
0 |
|
|
327059 |
126688942 |
2 |
OF2N2H10C11 |
AB2C2D10E11 |
-181.0 |
7.99 |
-9.11 |
-1.01 |
0 |
|
|
327060 |
126688945 |
2 |
PC3O3H7 |
AB3C3D7 |
-360.96 |
4.62 |
-11.2 |
-0.11 |
0 |
|
|
327061 |
126688947 |
2 |
O7C10H14 |
A7B10C14 |
-622.79 |
3.78 |
-10.82 |
-0.36 |
0 |
|
|
327062 |
126688948 |
2 |
O7C10H14 |
A7B10C14 |
-624.41 |
6.78 |
-10.81 |
-0.48 |
0 |
|
|
327063 |
126688949 |
1 |
PN3O7C15H28 |
AB3C7D15E28 |
-408.57 |
3.83 |
-9.8 |
-0.1 |
0 |
|
|
327064 |
126688950 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-135.38 |
4.96 |
-9.82 |
-0.57 |
0 |
|
|
327065 |
126688951 |
1 |
ClN2O14C30H37 |
AB2C14D30E37 |
-596.93 |
10.45 |
-9.2 |
-2.0 |
0 |
|
|
327066 |
126688952 |
1 |
IO2C9H15 |
AB2C9D15 |
-97.44 |
1.55 |
-9.47 |
-1.11 |
0 |
|
|
327067 |
126688953 |
1 |
O7C24H44 |
A7B24C44 |
-395.21 |
6.66 |
-10.84 |
-0.34 |
0 |
|
|
327068 |
126688954 |
1 |
N3O3H15C16 |
A3B3C15D16 |
-86.76 |
8.09 |
-8.41 |
-1.32 |
0 |
|
|
327069 |
126688955 |
1 |
N3S3O7C15H25 |
A3B3C7D15E25 |
-267.59 |
5.28 |
-9.18 |
-1.63 |
0 |
|
|
327070 |
126688957 |
6 |
O2C4H5 |
A2B4C5 |
-507.41 |
2.51 |
-9.49 |
-0.18 |
0 |
|
|
327071 |
126688958 |
6 |
O2C4H5 |
A2B4C5 |
-509.21 |
4.4 |
-9.03 |
-0.07 |
0 |
|
|
327072 |
126688959 |
2 |
NO3C12H12 |
AB3C12D12 |
-65.9 |
2.74 |
-8.48 |
-1.05 |
0 |
|
|
327073 |
126688960 |
1 |
NO5H21C23 |
AB5C21D23 |
-64.95 |
4.88 |
-8.51 |
-1.11 |
0 |
|
|
327074 |
126688961 |
2 |
NO3C12H12 |
AB3C12D12 |
-70.88 |
1.33 |
-8.68 |
-1.38 |
0 |
|
|
327075 |
126688962 |
1 |
NO5H21C23 |
AB5C21D23 |
-70.65 |
0.61 |
-8.49 |
-1.39 |
0 |
|
|
327076 |
126688963 |
2 |
NO3C12H13 |
AB3C12D13 |
-85.21 |
7.93 |
-8.3 |
-0.52 |
0 |
|
|
327077 |
126688964 |
1 |
NO5C23H23 |
AB5C23D23 |
-84.38 |
3.56 |
-8.35 |
-0.7 |
0 |
|
|
327078 |
126688965 |
1 |
OPN3C9H12 |
ABC3D9E12 |
174.4 |
2.2 |
-9.34 |
-0.25 |
0 |
|
|
327079 |
126688966 |
1 |
NSO10C14H15 |
ABC10D14E15 |
-382.71 |
0.49 |
-10.01 |
-1.29 |
0 |
|
|
327080 |
126688967 |
1 |
O2N4F5H15C25 |
A2B4C5D15E25 |
-181.84 |
2.71 |
-9.38 |
-1.48 |
0 |
|
|
327081 |
126688968 |
1 |
O3F5N5C34H34 |
A3B5C5D34E34 |
-272.75 |
5.22 |
-9.43 |
-1.34 |
0 |
|
|
327082 |
126688969 |
1 |
OCl2F3N5H26C29 |
AB2C3D5E26F29 |
-82.58 |
2.56 |
-9.31 |
-1.16 |
0 |
|
|
327083 |
126688970 |
1 |
NSO10C14H15 |
ABC10D14E15 |
-371.66 |
8.15 |
-9.94 |
-1.1 |
0 |
|
|
327084 |
126688971 |
1 |
O2C13H24 |
A2B13C24 |
-142.59 |
2.07 |
-10.44 |
1.05 |
0 |
|
|
327085 |
126688972 |
1 |
IOC12H23 |
ABC12D23 |
-79.28 |
4.0 |
-9.72 |
-1.25 |
0 |
|
|
327086 |
126688973 |
1 |
OF5N5H22C29 |
AB5C5D22E29 |
-121.14 |
5.8 |
-9.31 |
-1.44 |
0 |
|
|
327087 |
126688974 |
2 |
N2O5C16H20 |
A2B5C16D20 |
-406.99 |
10.19 |
-8.61 |
-1.25 |
0 |
|
|
327088 |
126688975 |
1 |
NSO8C14H23 |
ABC8D14E23 |
-380.95 |
2.25 |
-9.88 |
-0.87 |
0 |
|
|
327089 |
126688976 |
1 |
IN3O3C13H14 |
AB3C3D13E14 |
-86.6 |
5.77 |
-8.63 |
-1.22 |
0 |
|
|
327090 |
126688981 |
1 |
NO4C14H17 |
AB4C14D17 |
-121.76 |
2.68 |
-8.64 |
0.01 |
0 |
|
|
327091 |
126688982 |
1 |
NSO10C11H15 |
ABC10D11E15 |
-438.26 |
5.75 |
-10.26 |
-1.37 |
0 |
|
|
327092 |
126688984 |
1 |
F3N5O6C39H44 |
A3B5C6D39E44 |
-333.58 |
7.67 |
-9.6 |
-0.97 |
0 |
|
|
327093 |
126688986 |
1 |
NO2C15H19 |
AB2C15D19 |
-72.65 |
2.95 |
-8.86 |
0.39 |
0 |
|
|
327094 |
126688987 |
1 |
NSO10C19H31 |
ABC10D19E31 |
-487.41 |
4.93 |
-9.41 |
-0.66 |
0 |
|
|
327095 |
126688988 |
1 |
NO2C15H19 |
AB2C15D19 |
-72.24 |
1.81 |
-8.8 |
0.2 |
0 |
|
|
327096 |
126688991 |
1 |
NO2C12H21 |
AB2C12D21 |
-106.02 |
4.18 |
-8.49 |
0.53 |
0 |
|
|
327097 |
126688992 |
1 |
NO2C13H23 |
AB2C13D23 |
-108.98 |
1.99 |
-8.54 |
0.62 |
0 |
|
|
327098 |
126688994 |
1 |
NO2C13H23 |
AB2C13D23 |
-111.66 |
2.7 |
-8.53 |
0.75 |
0 |
|
|
327099 |
126688996 |
1 |
NSO12C15H15 |
ABC12D15E15 |
-460.29 |
7.11 |
-10.06 |
-1.73 |
0 |
|
|
327100 |
126688997 |
1 |
NSO10C17H27 |
ABC10D17E27 |
-471.36 |
6.41 |
-10.33 |
-1.3 |
0 |
|
|
327101 |
126689001 |
1 |
NSO8C11H13 |
ABC8D11E13 |
-325.79 |
3.48 |
-10.03 |
-1.19 |
0 |
|
|
327102 |
126689002 |
2 |
NOC12H17 |
ABC12D17 |
-115.92 |
6.37 |
-8.42 |
0.62 |
0 |
|
|
327103 |
126689003 |
2 |
NOC12H16 |
ABC12D16 |
-109.78 |
2.62 |
-9.54 |
-0.5 |
0 |
|
|
327104 |
126689004 |
1 |
NO2C15H19 |
AB2C15D19 |
-63.54 |
3.1 |
-9.09 |
0.13 |
0 |
|
|
327105 |
126689005 |
1 |
NO2C15H19 |
AB2C15D19 |
-63.44 |
1.75 |
-8.72 |
0.03 |
0 |
|
|
327106 |
126689007 |
1 |
NSO10C21H31 |
ABC10D21E31 |
-474.93 |
6.08 |
-10.12 |
-1.06 |
0 |
|
|
327107 |
126689012 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-39.09 |
2.29 |
-9.08 |
-0.5 |
0 |
|
|
327108 |
126689014 |
1 |
NSO10C23H35 |
ABC10D23E35 |
-449.98 |
3.86 |
-9.86 |
-0.94 |
0 |
|
|
327109 |
126689015 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-50.33 |
1.39 |
-8.55 |
0.11 |
0 |
|
|
327110 |
126689016 |
1 |
NSO10C23H35 |
ABC10D23E35 |
-496.4 |
4.09 |
-9.95 |
-0.91 |
0 |
|
|
327111 |
126689018 |
2 |
ON2C10H19 |
AB2C10D19 |
-140.35 |
1.45 |
-9.18 |
1.33 |
0 |
|
|
327112 |
126689020 |
1 |
NSO12C17H19 |
ABC12D17E19 |
-480.67 |
5.66 |
-10.03 |
-1.5 |
0 |
|
|
327113 |
126689021 |
1 |
NSO10C23H23 |
ABC10D23E23 |
-389.86 |
4.73 |
-9.9 |
-1.11 |
0 |
|
|
327114 |
126689027 |
2 |
NOC5H9 |
ABC5D9 |
-88.58 |
6.33 |
-8.52 |
0.51 |
0 |
|
|
327115 |
126689028 |
1 |
OF3N6C27H27 |
AB3C6D27E27 |
-60.33 |
6.04 |
-8.95 |
-0.93 |
0 |
|
|
327116 |
126689030 |
1 |
OF3N5H28C35 |
AB3C5D28E35 |
-3.93 |
3.7 |
-9.09 |
-1.52 |
0 |
|
|
327117 |
126689033 |
1 |
F4N4O4C27H28 |
A4B4C4D27E28 |
-300.12 |
7.22 |
-9.04 |
-1.26 |
0 |
|
|
327118 |
126689034 |
1 |
N3H19C20 |
A3B19C20 |
85.78 |
5.55 |
-8.14 |
-0.85 |
0 |
|
|
327119 |
126689035 |
2 |
ON2H9C10 |
AB2C9D10 |
81.72 |
9.48 |
-8.67 |
-1.72 |
0 |
|
|
327120 |
126689036 |
2 |
ON2H9C10 |
AB2C9D10 |
78.58 |
6.73 |
-8.6 |
-1.63 |
0 |
|
|
327121 |
126689039 |
1 |
SF4O4N7C36H39 |
AB4C4D7E36F39 |
-216.39 |
5.23 |
-8.89 |
-1.62 |
0 |
|
|
327122 |
126689040 |
1 |
O3F4N7C36H39 |
A3B4C7D36E39 |
-193.64 |
9.78 |
-9.64 |
-1.38 |
0 |
|
|
327123 |
126689041 |
1 |
O3F4N7H31C32 |
A3B4C7D31E32 |
-178.08 |
8.86 |
-9.68 |
-1.43 |
0 |
|
|
327124 |
126689043 |
1 |
Cl2F3N6C15H17 |
A2B3C6D15E17 |
-110.07 |
7.59 |
-8.79 |
-0.58 |
0 |