List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
302987 |
124489069 |
1 |
ON2C8H20 |
AB2C8D20 |
-67.85 |
3.5 |
-8.76 |
2.58 |
0 |
|
|
302988 |
124489070 |
1 |
NOC6H11 |
ABC6D11 |
-11.47 |
2.32 |
-9.51 |
1.65 |
0 |
|
|
302989 |
124489071 |
1 |
NO2C9H19 |
AB2C9D19 |
-114.86 |
3.55 |
-9.65 |
1.99 |
0 |
|
|
302990 |
124489072 |
1 |
NO2C9H19 |
AB2C9D19 |
-114.37 |
3.38 |
-9.67 |
2.09 |
0 |
|
|
302991 |
124489073 |
1 |
SN2O2Cl3H7C11 |
AB2C2D3E7F11 |
-66.35 |
2.52 |
-9.06 |
-1.58 |
0 |
|
|
302992 |
124489074 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-87.88 |
3.97 |
-9.42 |
-0.8 |
0 |
|
|
302993 |
124489076 |
2 |
ClNC6H8 |
ABC6D8 |
6.0 |
4.47 |
-9.09 |
-0.38 |
0 |
|
|
302994 |
124489077 |
2 |
ClNC6H8 |
ABC6D8 |
8.08 |
3.13 |
-9.12 |
-0.34 |
0 |
|
|
302995 |
124489078 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-75.78 |
4.91 |
-9.12 |
0.47 |
0 |
|
|
302996 |
124489079 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-75.57 |
3.63 |
-9.1 |
0.49 |
0 |
|
|
302997 |
124489080 |
1 |
SN2O2C8H16 |
AB2C2D8E16 |
-71.67 |
4.21 |
-9.48 |
0.52 |
0 |
|
|
302998 |
124489081 |
1 |
NSO6C21H21 |
ABC6D21E21 |
-207.38 |
7.11 |
-8.95 |
-0.5 |
0 |
|
|
302999 |
124489082 |
1 |
NSO6C21H21 |
ABC6D21E21 |
-207.23 |
9.94 |
-9.15 |
-0.7 |
0 |
|
|
303000 |
124489083 |
1 |
NO4C22H23 |
AB4C22D23 |
-139.41 |
5.06 |
-8.89 |
-0.43 |
0 |
|
|
303001 |
124489084 |
1 |
NO4C22H23 |
AB4C22D23 |
-139.81 |
3.5 |
-8.93 |
-0.48 |
0 |
|
|
303002 |
124489085 |
1 |
NO4C21H21 |
AB4C21D21 |
-131.25 |
6.06 |
-8.82 |
-0.36 |
0 |
|
|
303003 |
124489086 |
1 |
NO4C21H21 |
AB4C21D21 |
-131.59 |
5.28 |
-8.75 |
-0.3 |
0 |
|
|
303004 |
124489087 |
1 |
NO3C22H25 |
AB3C22D25 |
-101.74 |
4.16 |
-8.76 |
-0.31 |
0 |
|
|
303005 |
124489089 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-133.49 |
2.95 |
-9.43 |
-0.36 |
0 |
|
|
303006 |
124489090 |
1 |
SO4C10H12 |
AB4C10D12 |
-152.34 |
0.46 |
-10.01 |
-0.27 |
0 |
|
|
303007 |
124489091 |
1 |
SO4C10H12 |
AB4C10D12 |
-143.45 |
6.81 |
-9.59 |
0.15 |
0 |
|
|
303008 |
124489092 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-41.31 |
6.12 |
-8.29 |
-0.09 |
0 |
|
|
303009 |
124489093 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-37.33 |
5.81 |
-8.1 |
0.15 |
0 |
|
|
303010 |
124489094 |
1 |
OSN5C9H17 |
ABC5D9E17 |
-2.2 |
4.98 |
-8.99 |
-0.4 |
0 |
|
|
303011 |
124489097 |
1 |
OSN3C11H13 |
ABC3D11E13 |
48.86 |
1.7 |
-9.21 |
-0.32 |
0 |
|
|
303012 |
124489100 |
1 |
N3C11H17 |
A3B11C17 |
13.7 |
2.45 |
-8.38 |
0.2 |
0 |
|
|
303013 |
124489102 |
1 |
ClN3C10H14 |
AB3C10D14 |
13.25 |
2.08 |
-8.73 |
-0.27 |
0 |
|
|
303014 |
124489104 |
1 |
NO2C12H21 |
AB2C12D21 |
-96.91 |
5.01 |
-9.74 |
0.82 |
0 |
|
|
303015 |
124489107 |
2 |
NO2C8H9 |
AB2C8D9 |
-118.67 |
2.57 |
-9.34 |
-0.54 |
0 |
|
|
303016 |
124489108 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-127.65 |
3.02 |
-9.1 |
-0.17 |
0 |
|
|
303017 |
124489109 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-128.65 |
2.22 |
-9.07 |
-0.16 |
0 |
|
|
303018 |
124489110 |
2 |
NO2C8H9 |
AB2C8D9 |
-117.38 |
1.92 |
-9.64 |
-0.33 |
0 |
|
|
303019 |
124489111 |
2 |
NO2C8H9 |
AB2C8D9 |
-119.05 |
1.15 |
-9.59 |
-0.31 |
0 |
|
|
303020 |
124489112 |
1 |
NO2C11H15 |
AB2C11D15 |
-61.3 |
2.03 |
-8.06 |
0.14 |
0 |
|
|
303021 |
124489114 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-32.44 |
5.62 |
-9.15 |
-1.14 |
0 |
|
|
303022 |
124489115 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-32.22 |
6.44 |
-9.13 |
-1.12 |
0 |
|
|
303023 |
124489117 |
2 |
NO2C9H10 |
AB2C9D10 |
-95.3 |
1.99 |
-9.6 |
-0.33 |
0 |
|
|
303024 |
124489118 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-104.5 |
3.56 |
-9.0 |
-0.02 |
0 |
|
|
303025 |
124489119 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-103.7 |
2.68 |
-9.1 |
-0.16 |
0 |
|
|
303026 |
124489120 |
1 |
ON2C6H14 |
AB2C6D14 |
-46.5 |
2.46 |
-9.13 |
2.04 |
0 |
|
|
303027 |
124489121 |
1 |
ON2C6H14 |
AB2C6D14 |
-45.62 |
2.06 |
-9.14 |
2.26 |
0 |
|
|
303028 |
124489122 |
1 |
O3N7C14H15 |
A3B7C14D15 |
50.04 |
10.16 |
-9.45 |
-0.86 |
0 |
|
|
303029 |
124489123 |
1 |
O3N7C14H15 |
A3B7C14D15 |
49.53 |
8.81 |
-9.42 |
-0.85 |
0 |
|
|
303030 |
124489124 |
1 |
ON2F3C16H17 |
AB2C3D16E17 |
-172.38 |
6.03 |
-9.21 |
-0.8 |
0 |
|
|
303031 |
124489125 |
1 |
ON2F3C16H17 |
AB2C3D16E17 |
-175.69 |
6.43 |
-9.17 |
-0.74 |
0 |
|
|
303032 |
124489126 |
1 |
SN2O2C12H18 |
AB2C2D12E18 |
-64.78 |
6.58 |
-9.1 |
-0.59 |
0 |
|
|
303033 |
124489127 |
1 |
SN2O2F3C12H15 |
AB2C2D3E12F15 |
-214.6 |
5.96 |
-9.21 |
-1.16 |
0 |
|
|
303034 |
124489128 |
1 |
SN2O2F3C12H15 |
AB2C2D3E12F15 |
-217.55 |
3.44 |
-9.34 |
-1.15 |
0 |
|
|
303035 |
124489129 |
1 |
O2N3H15C16 |
A2B3C15D16 |
-21.86 |
3.73 |
-9.63 |
-0.7 |
0 |
|
|
303036 |
124489130 |
1 |
O2N3H15C16 |
A2B3C15D16 |
-23.95 |
1.06 |
-9.53 |
-0.79 |
0 |
|
|
303037 |
124489131 |
1 |
ClNSO3C16H22 |
ABCD3E16F22 |
-125.45 |
6.57 |
-8.93 |
0.04 |
0 |
|
|
303038 |
124489133 |
1 |
SO3N5H13C14 |
AB3C5D13E14 |
30.83 |
5.36 |
-9.12 |
-1.58 |
0 |
|
|
303039 |
124489134 |
1 |
SO3N5H13C14 |
AB3C5D13E14 |
30.86 |
6.04 |
-9.28 |
-1.57 |
0 |
|
|
303040 |
124489135 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-64.95 |
2.71 |
-9.03 |
-0.15 |
0 |
|
|
303041 |
124489136 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-65.49 |
4.39 |
-8.81 |
0.09 |
0 |
|
|
303042 |
124489137 |
2 |
NC3H7 |
AB3C7 |
-4.55 |
0.87 |
-8.5 |
2.61 |
0 |
|
|
303043 |
124489138 |
2 |
NC3H7 |
AB3C7 |
-6.57 |
0.56 |
-8.48 |
2.61 |
0 |
|
|
303044 |
124489139 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-80.02 |
5.26 |
-9.11 |
0.78 |
0 |
|
|
303045 |
124489140 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-82.59 |
1.31 |
-9.01 |
0.74 |
0 |
|
|
303046 |
124489141 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-121.22 |
2.41 |
-9.12 |
0.55 |
0 |
|
|
303047 |
124489144 |
1 |
NO2C12H17 |
AB2C12D17 |
-65.97 |
3.64 |
-9.39 |
0.16 |
0 |
|
|
303048 |
124489148 |
1 |
NOC10H15 |
ABC10D15 |
-7.31 |
1.21 |
-9.24 |
0.54 |
0 |
|
|
303049 |
124489149 |
1 |
NOC10H15 |
ABC10D15 |
-8.75 |
2.22 |
-9.07 |
0.73 |
0 |
|
|
303050 |
124489150 |
1 |
OC13H18 |
AB13C18 |
-30.39 |
2.27 |
-9.1 |
0.33 |
0 |
|
|
303051 |
124489151 |
1 |
OC13H18 |
AB13C18 |
-30.57 |
1.8 |
-8.84 |
0.55 |
0 |
|
|
303052 |
124489152 |
1 |
NO3C12H17 |
AB3C12D17 |
-132.73 |
8.11 |
-9.07 |
0.2 |
0 |
|
|
303053 |
124489153 |
1 |
NO3C12H17 |
AB3C12D17 |
-130.38 |
9.53 |
-8.91 |
0.38 |
0 |
|
|
303054 |
124489155 |
1 |
FSN2O3H15C18 |
ABC2D3E15F18 |
-96.2 |
4.38 |
-8.71 |
-0.93 |
0 |
|
|
303055 |
124489156 |
1 |
NOC14H21 |
ABC14D21 |
-44.44 |
2.05 |
-8.63 |
0.34 |
0 |
|
|
303056 |
124489157 |
1 |
NOC14H21 |
ABC14D21 |
-50.94 |
3.09 |
-8.07 |
0.51 |
0 |
|
|
303057 |
124489158 |
1 |
NOC14H21 |
ABC14D21 |
-46.12 |
2.88 |
-7.91 |
0.62 |
0 |
|
|
303058 |
124489159 |
1 |
NOC14H21 |
ABC14D21 |
-48.18 |
1.25 |
-7.95 |
0.61 |
0 |
|
|
303059 |
124489161 |
1 |
ON3C15H19 |
AB3C15D19 |
-3.01 |
5.52 |
-9.38 |
-0.76 |
0 |
|
|
303060 |
124489162 |
1 |
NC13H19 |
AB13C19 |
-4.89 |
2.39 |
-8.09 |
0.58 |
0 |
|
|
303061 |
124489163 |
1 |
NC13H19 |
AB13C19 |
-6.84 |
2.43 |
-8.18 |
0.57 |
0 |