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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
302937 |
124403726 |
1 |
ClNOH22C25 |
ABCD22E25 |
38.34 |
3.09 |
-8.25 |
-0.3 |
0 |
|
|
302938 |
124403727 |
1 |
N2O3H22C25 |
A2B3C22D25 |
42.99 |
6.0 |
-8.34 |
-1.44 |
0 |
|
|
302939 |
124403747 |
1 |
NO2H27C31 |
AB2C27D31 |
20.81 |
5.07 |
-8.52 |
-0.61 |
0 |
|
|
302940 |
124403764 |
1 |
BrNO2H20C21 |
ABC2D20E21 |
-13.39 |
1.84 |
-8.28 |
-0.17 |
0 |
|
|
302941 |
124403767 |
1 |
NO3C24H25 |
AB3C24D25 |
-57.68 |
3.89 |
-8.55 |
-0.29 |
0 |
|
|
302942 |
124403774 |
1 |
NCl2H17C19 |
AB2C17D19 |
36.01 |
2.08 |
-8.28 |
-0.43 |
0 |
|
|
302943 |
124403777 |
1 |
NO2H19C20 |
AB2C19D20 |
-11.92 |
1.02 |
-8.1 |
-0.09 |
0 |
|
|
302944 |
124403790 |
1 |
BrNO4H20C22 |
ABC4D20E22 |
-93.71 |
3.59 |
-8.69 |
-0.62 |
0 |
|
|
302945 |
124403793 |
1 |
ClNO3H26C28 |
ABC3D26E28 |
-56.85 |
2.17 |
-8.6 |
-0.42 |
0 |
|
|
302946 |
124403813 |
1 |
ON2C23H30 |
AB2C23D30 |
-25.51 |
4.26 |
-8.8 |
-0.12 |
0 |
|
|
302947 |
124403816 |
1 |
N2O3C26H36 |
A2B3C26D36 |
-109.62 |
3.91 |
-8.17 |
-0.04 |
0 |
|
|
302948 |
124403831 |
1 |
SN2O4C23H30 |
AB2C4D23E30 |
-151.92 |
7.39 |
-8.99 |
-0.56 |
0 |
|
|
302949 |
124403834 |
1 |
ON2C24H32 |
AB2C24D32 |
-33.79 |
5.0 |
-8.8 |
-0.1 |
0 |
|
|
302950 |
124403843 |
1 |
FN2O2C21H25 |
AB2C2D21E25 |
-90.01 |
6.34 |
-8.98 |
-0.07 |
0 |
|
|
302951 |
124403852 |
1 |
ClSN2O4C21H25 |
ABC2D4E21F25 |
-143.2 |
7.32 |
-8.98 |
-0.52 |
0 |
|
|
302952 |
124403861 |
1 |
SN3O3C24H33 |
AB3C3D24E33 |
-112.09 |
1.76 |
-7.93 |
-0.11 |
0 |
|
|
302953 |
124488999 |
1 |
BrOC11H15 |
ABC11D15 |
-45.48 |
3.35 |
-9.4 |
-0.08 |
0 |
|
|
302954 |
124489000 |
1 |
ClOC12H15 |
ABC12D15 |
-55.11 |
2.41 |
-9.49 |
-0.13 |
0 |
|
|
302955 |
124489012 |
1 |
OC9H16 |
AB9C16 |
-38.21 |
2.7 |
-10.41 |
1.85 |
0 |
|
|
302956 |
124489013 |
1 |
OC9H16 |
AB9C16 |
-38.04 |
1.44 |
-10.38 |
1.71 |
0 |
|
|
302957 |
124489016 |
1 |
ClC14H19 |
AB14C19 |
-22.3 |
2.48 |
-9.1 |
0.44 |
0 |
|
|
302958 |
124489017 |
1 |
ClC14H19 |
AB14C19 |
-22.39 |
2.46 |
-9.12 |
0.41 |
0 |
|
|
302959 |
124489024 |
1 |
BrF2C11H11 |
AB2C11D11 |
-91.43 |
3.47 |
-10.02 |
-0.34 |
0 |
|
|
302960 |
124489025 |
1 |
BrF2C11H11 |
AB2C11D11 |
-91.07 |
0.76 |
-10.16 |
-0.45 |
0 |
|
|
302961 |
124489033 |
1 |
OSN6H16C18 |
ABC6D16E18 |
87.98 |
6.23 |
-9.11 |
-1.48 |
0 |
|
|
302962 |
124489036 |
1 |
NO2C11H17 |
AB2C11D17 |
-77.71 |
2.33 |
-8.72 |
0.14 |
0 |
|
|
302963 |
124489037 |
1 |
ON3C10H21 |
AB3C10D21 |
-57.36 |
3.42 |
-8.9 |
0.96 |
0 |
|
|
302964 |
124489038 |
1 |
ON3C10H21 |
AB3C10D21 |
-57.68 |
5.42 |
-8.79 |
0.9 |
0 |
|
|
302965 |
124489039 |
1 |
ON3C12H25 |
AB3C12D25 |
-66.87 |
2.9 |
-9.01 |
0.99 |
0 |
|
|
302966 |
124489040 |
1 |
ON3C12H25 |
AB3C12D25 |
-67.32 |
3.17 |
-9.0 |
1.0 |
0 |
|
|
302967 |
124489041 |
1 |
NO3C12H23 |
AB3C12D23 |
-159.19 |
1.4 |
-8.71 |
0.83 |
0 |
|
|
302968 |
124489042 |
1 |
NO3C12H23 |
AB3C12D23 |
-159.06 |
1.49 |
-8.72 |
0.8 |
0 |
|
|
302969 |
124489043 |
1 |
NO2C12H23 |
AB2C12D23 |
-122.95 |
2.61 |
-8.79 |
0.87 |
0 |
|
|
302970 |
124489045 |
1 |
NO2C10H21 |
AB2C10D21 |
-119.85 |
2.35 |
-8.79 |
0.87 |
0 |
|
|
302971 |
124489046 |
1 |
NO2C10H21 |
AB2C10D21 |
-116.52 |
0.51 |
-8.81 |
0.9 |
0 |
|
|
302972 |
124489047 |
1 |
NO2C10H21 |
AB2C10D21 |
-119.17 |
1.09 |
-8.75 |
0.93 |
0 |
|
|
302973 |
124489048 |
1 |
NO2C10H21 |
AB2C10D21 |
-119.01 |
2.05 |
-8.75 |
0.94 |
0 |
|
|
302974 |
124489049 |
1 |
NO2C12H25 |
AB2C12D25 |
-130.74 |
1.2 |
-8.53 |
0.82 |
0 |
|
|
302975 |
124489051 |
1 |
NO2C12H25 |
AB2C12D25 |
-128.53 |
2.35 |
-8.53 |
0.93 |
0 |
|
|
302976 |
124489052 |
1 |
NO2C13H25 |
AB2C13D25 |
-128.72 |
0.38 |
-8.67 |
0.92 |
0 |
|
|
302977 |
124489053 |
1 |
NO2C13H25 |
AB2C13D25 |
-128.59 |
0.55 |
-8.64 |
0.92 |
0 |
|
|
302978 |
124489057 |
1 |
ClFNO2C11H13 |
ABCD2E11F13 |
-109.64 |
3.84 |
-9.01 |
-0.46 |
0 |
|
|
302979 |
124489061 |
1 |
NO3C12H23 |
AB3C12D23 |
-147.63 |
2.43 |
-8.98 |
1.46 |
0 |
|
|
302980 |
124489062 |
1 |
NO3C12H23 |
AB3C12D23 |
-147.05 |
1.17 |
-9.05 |
1.46 |
0 |
|
|
302981 |
124489063 |
1 |
SO2N3C16H17 |
AB2C3D16E17 |
-27.6 |
6.93 |
-8.73 |
-0.74 |
0 |
|
|
302982 |
124489064 |
1 |
SO2N3C16H17 |
AB2C3D16E17 |
-27.61 |
7.13 |
-8.72 |
-0.76 |
0 |
|
|
302983 |
124489065 |
1 |
O2N4C9H12 |
A2B4C9D12 |
-52.46 |
5.96 |
-9.48 |
-0.16 |
0 |
|
|
302984 |
124489066 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-69.78 |
1.66 |
-8.02 |
0.35 |
0 |
|
|
302985 |
124489067 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-68.81 |
1.07 |
-8.15 |
0.21 |
0 |
|
|
302986 |
124489068 |
1 |
ON2C8H20 |
AB2C8D20 |
-68.35 |
4.66 |
-8.72 |
2.6 |
0 |
|
|
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 |