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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
377925 |
134223991 |
1 |
NO7C26H33 |
AB7C26D33 |
-259.93 |
11.15 |
-8.77 |
-0.86 |
0 |
|
|
377926 |
134223992 |
1 |
NO6C23H27 |
AB6C23D27 |
-192.77 |
10.01 |
-8.92 |
-1.0 |
0 |
|
|
377927 |
134223993 |
1 |
NO3C19H27 |
AB3C19D27 |
-70.25 |
0.67 |
-8.25 |
-0.18 |
0 |
|
|
377928 |
134223994 |
1 |
NO7C24H29 |
AB7C24D29 |
-258.37 |
14.82 |
-9.03 |
-1.24 |
0 |
|
|
377929 |
134223995 |
1 |
NO6C23H27 |
AB6C23D27 |
-225.49 |
13.98 |
-9.11 |
-1.24 |
0 |
|
|
377930 |
134223996 |
1 |
ON3H29C40 |
AB3C29D40 |
162.59 |
1.06 |
-8.79 |
-0.98 |
0 |
|
|
377931 |
134223997 |
1 |
NO8C26H33 |
AB8C26D33 |
-284.75 |
18.14 |
-8.94 |
-1.06 |
0 |
|
|
377932 |
134223998 |
1 |
NO8C28H37 |
AB8C28D37 |
-284.03 |
11.13 |
-8.84 |
-0.92 |
0 |
|
|
377933 |
134223999 |
1 |
BrNOH18C24 |
ABCD18E24 |
71.02 |
3.33 |
-8.92 |
-0.66 |
0 |
|
|
377934 |
134224000 |
1 |
BrNH14C18 |
ABC14D18 |
74.16 |
1.82 |
-9.29 |
-0.69 |
0 |
|
|
377935 |
134224001 |
1 |
ON3H23C33 |
AB3C23D33 |
138.87 |
7.01 |
-8.13 |
-1.33 |
0 |
|
|
377936 |
134224002 |
1 |
ON3H27C38 |
AB3C27D38 |
154.63 |
2.22 |
-8.6 |
-0.87 |
0 |
|
|
377937 |
134224004 |
1 |
O2N3H29C42 |
A2B3C29D42 |
145.73 |
2.85 |
-8.75 |
-0.93 |
0 |
|
|
377938 |
134224005 |
1 |
BrNO2H14C20 |
ABC2D14E20 |
32.36 |
4.12 |
-8.96 |
-1.06 |
0 |
|
|
377939 |
134224006 |
1 |
ON2C28H36 |
AB2C28D36 |
29.31 |
2.68 |
-8.89 |
-0.15 |
0 |
|
|
377940 |
134224007 |
1 |
O2N3H25C36 |
A2B3C25D36 |
100.58 |
5.88 |
-8.4 |
-1.12 |
0 |
|
|
377941 |
134224008 |
1 |
NCl2O3H13C18 |
AB2C3D13E18 |
-74.7 |
3.67 |
-9.36 |
-1.27 |
0 |
|
|
377942 |
134224009 |
1 |
NCl3O3H16C24 |
AB3C3D16E24 |
-53.51 |
2.22 |
-9.24 |
-1.31 |
0 |
|
|
377943 |
134224010 |
1 |
NCl3O3H12C22 |
AB3C3D12E22 |
-49.26 |
4.36 |
-9.45 |
-1.67 |
0 |
|
|
377944 |
134224011 |
1 |
NO6C22H25 |
AB6C22D25 |
-219.36 |
14.13 |
-9.1 |
-1.26 |
0 |
|
|
377945 |
134224012 |
1 |
NCl2O3H17C24 |
AB2C3D17E24 |
-42.71 |
3.8 |
-9.14 |
-1.16 |
0 |
|
|
377946 |
134224013 |
1 |
ClNO3H14C18 |
ABC3D14E18 |
-64.56 |
3.54 |
-9.27 |
-1.16 |
0 |
|
|
377947 |
134224014 |
1 |
NOC16H31 |
ABC16D31 |
-68.86 |
2.6 |
-8.12 |
1.25 |
0 |
|
|
377948 |
134224015 |
1 |
NO6C24H29 |
AB6C24D29 |
-203.1 |
15.93 |
-8.97 |
-1.09 |
0 |
|
|
377949 |
134224016 |
1 |
NCl2O4H19C25 |
AB2C4D19E25 |
-86.09 |
5.08 |
-9.1 |
-1.15 |
0 |
|
|
377950 |
134224017 |
1 |
NCl2O4H15C23 |
AB2C4D15E23 |
-82.61 |
6.81 |
-9.29 |
-1.46 |
0 |
|
|
377951 |
134224018 |
1 |
NCl2O3H13C18 |
AB2C3D13E18 |
-73.79 |
1.75 |
-9.34 |
-1.27 |
0 |
|
|
377952 |
134224019 |
1 |
NO6C23H27 |
AB6C23D27 |
-229.37 |
14.81 |
-8.97 |
-1.18 |
0 |
|
|
377953 |
134224020 |
1 |
NO6C25H31 |
AB6C25D31 |
-227.92 |
11.76 |
-8.72 |
-0.83 |
0 |
|
|
377954 |
134224021 |
1 |
NC18H29 |
AB18C29 |
47.68 |
2.16 |
-8.22 |
1.2 |
0 |
|
|
377955 |
134224022 |
1 |
NO4C23H23 |
AB4C23D23 |
-72.75 |
14.42 |
-9.15 |
-1.42 |
0 |
|
|
377956 |
134224023 |
1 |
ClNF3O3H13C23 |
ABC3D3E13F23 |
-190.88 |
4.14 |
-9.64 |
-1.7 |
0 |
|
|
377957 |
134224024 |
1 |
ClNO4C26H28 |
ABC4D26E28 |
-131.8 |
9.43 |
-9.16 |
-0.59 |
0 |
|
|
377958 |
134224025 |
1 |
ClNO4C26H26 |
ABC4D26E26 |
-119.9 |
8.99 |
-9.14 |
-0.99 |
0 |
|
|
377959 |
134224026 |
1 |
ClNO5C21H22 |
ABC5D21E22 |
-192.47 |
12.97 |
-9.52 |
-1.36 |
0 |
|
|
377960 |
134224027 |
1 |
ClNF3O3H17C25 |
ABC3D3E17F25 |
-195.17 |
3.86 |
-9.34 |
-1.38 |
0 |
|
|
377961 |
134224028 |
1 |
ClNO2C19H22 |
ABC2D19E22 |
-60.39 |
5.98 |
-8.86 |
-0.09 |
0 |
|
|
377962 |
134224029 |
1 |
NO6C26H33 |
AB6C26D33 |
-217.5 |
11.81 |
-8.68 |
-0.79 |
0 |
|
|
377963 |
134224030 |
1 |
O2F3N3C16H18 |
A2B3C3D16E18 |
-192.71 |
8.2 |
-8.69 |
-0.42 |
0 |
|
|
377964 |
134224031 |
1 |
ClNO5C23H26 |
ABC5D23E26 |
-191.19 |
9.17 |
-9.18 |
-1.03 |
0 |
|
|
377965 |
134224032 |
1 |
ClNOC18H22 |
ABCD18E22 |
-21.82 |
0.34 |
-8.99 |
-0.17 |
0 |
|
|
377966 |
134224033 |
1 |
NO6C24H29 |
AB6C24D29 |
-219.11 |
16.01 |
-8.91 |
-1.14 |
0 |
|
|
377967 |
134224034 |
1 |
ClNOC19H20 |
ABCD19E20 |
0.72 |
2.27 |
-8.94 |
-0.42 |
0 |
|
|
377968 |
134224035 |
1 |
NO6C25H31 |
AB6C25D31 |
-221.53 |
16.38 |
-8.88 |
-1.12 |
0 |
|
|
377969 |
134224036 |
1 |
NO7C27H35 |
AB7C27D35 |
-247.22 |
13.25 |
-8.66 |
-0.79 |
0 |
|
|
377970 |
134224037 |
1 |
NO6C27H35 |
AB6C27D35 |
-219.78 |
12.74 |
-8.65 |
-0.8 |
0 |
|
|
377971 |
134224038 |
1 |
NSO9C26H33 |
ABC9D26E33 |
-349.39 |
10.13 |
-8.9 |
-1.01 |
0 |
|
|
377972 |
134224039 |
1 |
NO7C25H31 |
AB7C25D31 |
-248.48 |
17.01 |
-9.0 |
-1.14 |
0 |
|
|
377973 |
134224040 |
1 |
NF2O4H19C25 |
AB2C4D19E25 |
-162.27 |
5.15 |
-9.13 |
-1.06 |
0 |
|
|
377974 |
134224041 |
1 |
FNO4H16C19 |
ABC4D16E19 |
-145.7 |
4.45 |
-9.22 |
-1.05 |
0 |
|
|
377975 |
134224042 |
1 |
ClSN2O2F3H14C15 |
ABC2D2E3F14G15 |
-194.0 |
4.17 |
-8.87 |
-1.83 |
0 |
|
|
377976 |
134224043 |
1 |
NO7C27H35 |
AB7C27D35 |
-252.87 |
13.56 |
-8.66 |
-0.75 |
0 |
|
|
377977 |
134224044 |
1 |
NO7C25H31 |
AB7C25D31 |
-254.11 |
15.87 |
-8.79 |
-1.06 |
0 |
|
|
377978 |
134224045 |
1 |
BrNCl2O3H12C22 |
ABC2D3E12F22 |
-37.14 |
4.33 |
-9.48 |
-1.68 |
0 |
|
|
377979 |
134224046 |
1 |
BrNCl2O3H16C24 |
ABC2D3E16F24 |
-41.52 |
2.17 |
-9.27 |
-1.31 |
0 |
|
|
377980 |
134224047 |
1 |
ClO2F3N3C16H17 |
AB2C3D3E16F17 |
-197.56 |
5.41 |
-8.68 |
-0.5 |
0 |
|
|
377981 |
134224048 |
1 |
ClSN2O2F3H12C14 |
ABC2D2E3F12G14 |
-190.11 |
5.64 |
-8.89 |
-1.96 |
0 |
|
|
377982 |
134224049 |
1 |
BrClNO3H13C18 |
ABCD3E13F18 |
-62.46 |
3.76 |
-9.4 |
-1.3 |
0 |
|
|
377983 |
134224050 |
1 |
ON3H23C33 |
AB3C23D33 |
137.92 |
10.71 |
-8.04 |
-1.37 |
0 |
|
|
377984 |
134224051 |
1 |
ON5H21C31 |
AB5C21D31 |
158.65 |
7.13 |
-8.16 |
-1.55 |
0 |
|
|
377985 |
134224052 |
1 |
ON3H23C33 |
AB3C23D33 |
137.65 |
9.62 |
-7.99 |
-1.31 |
0 |
|
|
377986 |
134224053 |
1 |
ON3H25C36 |
AB3C25D36 |
150.17 |
3.7 |
-8.7 |
-0.99 |
0 |
|
|
377987 |
134224054 |
1 |
ON5H23C32 |
AB5C23D32 |
154.6 |
6.99 |
-8.93 |
-1.14 |
0 |
|
|
377988 |
134224055 |
1 |
N2C17H18 |
A2B17C18 |
78.78 |
3.76 |
-8.52 |
-0.14 |
0 |
|
|
377989 |
134224056 |
1 |
ON3H19C29 |
AB3C19D29 |
116.87 |
2.57 |
-8.15 |
-1.12 |
0 |
|
|
377990 |
134224057 |
1 |
ON4H20C30 |
AB4C20D30 |
141.06 |
1.93 |
-8.76 |
-1.11 |
0 |
|
|
377991 |
134224058 |
1 |
N3H15C22 |
A3B15C22 |
124.09 |
4.35 |
-8.84 |
-1.03 |
0 |
|
|
377992 |
134224059 |
1 |
ON2C15H20 |
AB2C15D20 |
48.16 |
2.8 |
-8.31 |
-0.54 |
0 |
|
|
377993 |
134224060 |
1 |
N3C8H13 |
A3B8C13 |
61.13 |
2.55 |
-9.15 |
-0.1 |
0 |
|
|
377994 |
134224061 |
1 |
NCl2O3H13C22 |
AB2C3D13E22 |
-38.59 |
5.57 |
-9.41 |
-1.55 |
0 |
|
|
377995 |
134224062 |
1 |
NO3Cl4H15C24 |
AB3C4D15E24 |
-61.59 |
3.93 |
-9.22 |
-1.37 |
0 |
|
|
377996 |
134224063 |
1 |
NO3Cl4H11C22 |
AB3C4D11E22 |
-56.63 |
4.7 |
-9.48 |
-1.72 |
0 |
|
|
377997 |
134224064 |
1 |
NCl2O3H17C24 |
AB2C3D17E24 |
-43.76 |
3.58 |
-9.11 |
-1.13 |
0 |
|
|
377998 |
134224065 |
1 |
NCl2O3H13C22 |
AB2C3D13E22 |
-34.26 |
4.08 |
-9.25 |
-1.41 |
0 |
|
|
377999 |
134224067 |
1 |
NF3O3H14C19 |
AB3C3D14E19 |
-216.98 |
4.0 |
-9.53 |
-1.39 |
0 |
|
|
378000 |
134224068 |
1 |
ClNOF3H15C23 |
ABCD3E15F23 |
-122.52 |
2.44 |
-9.23 |
-1.06 |
0 |
|
|
378001 |
134224069 |
1 |
ClFNO3H13C18 |
ABCD3E13F18 |
-112.68 |
1.71 |
-9.4 |
-1.21 |
0 |
|
|
378002 |
134224070 |
1 |
ClFNO3H19C25 |
ABCD3E19F25 |
-91.71 |
3.31 |
-9.05 |
-1.03 |
0 |
|
|
378003 |
134224071 |
1 |
ClNO4H20C25 |
ABC4D20E25 |
-76.09 |
3.02 |
-8.95 |
-0.99 |
0 |
|
|
378004 |
134224072 |
1 |
O3N5C23H25 |
A3B5C23D25 |
30.8 |
2.91 |
-8.3 |
-1.25 |
0 |
|
|
378005 |
134224073 |
1 |
O3N5C22H23 |
A3B5C22D23 |
32.55 |
7.42 |
-8.32 |
-1.63 |
0 |
|
|
378006 |
134224074 |
1 |
O2N5C22H23 |
A2B5C22D23 |
77.73 |
1.32 |
-8.28 |
-1.22 |
0 |
|
|
378007 |
134224075 |
1 |
O2N5C21H21 |
A2B5C21D21 |
79.94 |
7.63 |
-8.28 |
-1.6 |
0 |
|
|
378008 |
134224076 |
1 |
BrNCl2O3H18C25 |
ABC2D3E18F25 |
-48.34 |
1.86 |
-9.29 |
-1.27 |
0 |
|
|
378009 |
134224077 |
1 |
BrNCl2O3H14C23 |
ABC2D3E14F23 |
-44.59 |
4.11 |
-9.54 |
-1.7 |
0 |
|
|
378010 |
134224078 |
1 |
NOBr3H12C18 |
ABC3D12E18 |
48.37 |
4.16 |
-9.18 |
-0.96 |
0 |
|
|
378011 |
134224079 |
1 |
BrNOH14C18 |
ABCD14E18 |
46.29 |
3.86 |
-8.96 |
-0.7 |
0 |
|
|
378012 |
134224080 |
1 |
ON4H36C51 |
AB4C36D51 |
217.1 |
6.44 |
-8.98 |
-0.73 |
0 |
|
|
378013 |
134224081 |
1 |
ON4H40C52 |
AB4C40D52 |
228.6 |
4.46 |
-8.99 |
-0.75 |
0 |
|
|
378014 |
134224082 |
1 |
ON3H23C27 |
AB3C23D27 |
113.18 |
3.41 |
-8.8 |
-0.57 |
0 |
|
|
378015 |
134224083 |
1 |
N2O2Cl3H13C22 |
A2B2C3D13E22 |
4.96 |
7.87 |
-9.24 |
-1.66 |
0 |
|
|
378016 |
134224084 |
1 |
ON3H23C29 |
AB3C23D29 |
128.08 |
2.96 |
-8.43 |
-0.89 |
0 |
|
|
378017 |
134224085 |
1 |
ON3H33C41 |
AB3C33D41 |
152.86 |
5.88 |
-8.43 |
-0.65 |
0 |
|
|
378018 |
134224086 |
1 |
N2Cl3O3H15C23 |
A2B3C3D15E23 |
-10.34 |
1.89 |
-9.0 |
-1.3 |
0 |
|
|
378019 |
134224087 |
1 |
ON3H27C38 |
AB3C27D38 |
158.15 |
1.23 |
-8.65 |
-0.9 |
0 |
|
|
378020 |
134224088 |
1 |
ON3H21C31 |
AB3C21D31 |
127.6 |
1.79 |
-8.75 |
-0.89 |
0 |
|
|
378021 |
134224089 |
1 |
NCl3O3H18C25 |
AB3C3D18E25 |
-59.35 |
3.71 |
-9.22 |
-1.21 |
0 |
|
|
378022 |
134224090 |
1 |
ON5H23C34 |
AB5C23D34 |
177.22 |
11.28 |
-8.1 |
-1.56 |
0 |
|
|
378023 |
134224091 |
1 |
ON5H19C33 |
AB5C19D33 |
172.95 |
10.53 |
-8.0 |
-1.5 |
0 |
|
|
378024 |
134224092 |
1 |
ClO2N3H22C35 |
AB2C3D22E35 |
146.59 |
0.94 |
-9.23 |
-1.89 |
0 |