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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
405926 |
135076024 |
1 |
OSiC13H18 |
ABC13D18 |
-31.19 |
2.45 |
-9.52 |
0.26 |
0 |
|
|
405927 |
135076025 |
1 |
IO2H13C18 |
AB2C13D18 |
12.75 |
3.16 |
-8.75 |
-1.06 |
0 |
|
|
405928 |
135076026 |
1 |
ClNO3C12H14 |
ABC3D12E14 |
-55.29 |
8.07 |
-9.53 |
-1.22 |
0 |
|
|
405929 |
135076027 |
1 |
ClN2O3C16H25 |
AB2C3D16E25 |
-66.54 |
8.28 |
-8.91 |
-1.18 |
0 |
|
|
405930 |
135076028 |
2 |
OC8H9 |
AB8C9 |
-58.96 |
2.82 |
-9.15 |
-0.61 |
0 |
|
|
405931 |
135076029 |
1 |
ION3C14H16 |
ABC3D14E16 |
66.9 |
4.3 |
-9.51 |
-1.54 |
0 |
|
|
405932 |
135076030 |
1 |
ON2F4H12C14 |
AB2C4D12E14 |
-156.47 |
7.67 |
-9.98 |
-1.67 |
0 |
|
|
405933 |
135076031 |
1 |
ON2F4H14C15 |
AB2C4D14E15 |
-164.51 |
7.87 |
-9.93 |
-1.65 |
0 |
|
|
405934 |
135076032 |
1 |
OF3N3H4C12 |
AB3C3D4E12 |
-82.76 |
4.13 |
-10.09 |
-2.61 |
0 |
|
|
405935 |
135076033 |
2 |
FO2C8H10 |
AB2C8D10 |
-220.92 |
2.32 |
-9.88 |
0.07 |
0 |
|
|
405936 |
135076034 |
1 |
SiO2F3C26H27 |
AB2C3D26E27 |
-201.78 |
3.46 |
-9.13 |
-0.88 |
0 |
|
|
405937 |
135076035 |
1 |
FSO4C16H17 |
ABC4D16E17 |
-180.37 |
6.23 |
-9.58 |
-0.81 |
0 |
|
|
405938 |
135076036 |
2 |
O2C9H11 |
A2B9C11 |
-146.48 |
3.15 |
-9.52 |
0.13 |
0 |
|
|
405939 |
135076037 |
1 |
NOS2C16H23 |
ABC2D16E23 |
-8.08 |
2.5 |
-8.46 |
0.22 |
0 |
|
|
405940 |
135076038 |
1 |
SiO3C34H50 |
AB3C34D50 |
-146.57 |
1.28 |
-8.94 |
-0.37 |
0 |
|
|
405941 |
135076039 |
1 |
ClSO2C18H27 |
ABC2D18E27 |
-119.06 |
2.36 |
-9.01 |
-0.76 |
0 |
|
|
405942 |
135076040 |
1 |
CrSSiO6C14H14 |
ABCD6E14F14 |
-25.16 |
1.19 |
-7.3 |
-0.36 |
0 |
|
|
405943 |
135076041 |
1 |
CrOSSiC9H14 |
ABCDE9F14 |
71.37 |
1.61 |
-7.62 |
-0.03 |
0 |
|
|
405944 |
135076042 |
1 |
CrO6C14H14 |
AB6C14D14 |
-191.71 |
1.49 |
-8.08 |
0.14 |
0 |
|
|
405945 |
135076043 |
1 |
CrOC9H14 |
ABC9D14 |
118.15 |
1.63 |
-6.81 |
0.95 |
0 |
|
|
405946 |
135076044 |
1 |
OF3H15C17 |
AB3C15D17 |
-120.92 |
2.82 |
-9.29 |
-0.38 |
0 |
|
|
405947 |
135076045 |
1 |
NO2S2C19H23 |
AB2C2D19E23 |
-57.24 |
2.91 |
-8.47 |
-0.99 |
0 |
|
|
405948 |
135076046 |
1 |
S2Cl3H19C20 |
A2B3C19D20 |
28.29 |
3.62 |
-8.48 |
-0.55 |
0 |
|
|
405949 |
135076048 |
1 |
WO6H10C14 |
AB6C10D14 |
-18.64 |
6.23 |
-6.91 |
0.19 |
0 |
|
|
405950 |
135076049 |
1 |
OWC9H10 |
ABC9D10 |
224.2 |
2.52 |
-6.45 |
0.27 |
0 |
|
|
405951 |
135076050 |
1 |
CrNO6H15C21 |
ABC6D15E21 |
43.58 |
2.5 |
-7.64 |
-0.43 |
0 |
|
|
405952 |
135076051 |
1 |
CrNOH15C16 |
ABCD15E16 |
207.7 |
5.51 |
-7.13 |
-0.15 |
0 |
|
|
405953 |
135076052 |
1 |
CrFeO6H12C19 |
ABC6D12E19 |
82.87 |
7.92 |
-7.66 |
-0.87 |
0 |
|
|
405954 |
135076053 |
1 |
CrOH7C9 |
ABC7D9 |
170.42 |
7.16 |
0.0 |
0.0 |
0 |
|
|
405955 |
135076054 |
1 |
NSO2H9C10 |
ABC2D9E10 |
65.72 |
6.55 |
-8.91 |
-1.64 |
0 |
|
|
405956 |
135076055 |
1 |
WO6H12C18 |
AB6C12D18 |
127.47 |
1.71 |
-7.35 |
-0.56 |
0 |
|
|
405957 |
135076056 |
1 |
OWH12C13 |
ABC12D13 |
183.29 |
4.98 |
-6.31 |
0.18 |
0 |
|
|
405958 |
135076057 |
1 |
CrNO5H15C17 |
ABC5D15E17 |
-54.67 |
5.53 |
-7.42 |
-0.12 |
0 |
|
|
405959 |
135076058 |
1 |
CrNC12H15 |
ABC12D15 |
118.25 |
2.22 |
-7.17 |
0.35 |
0 |
|
|
405960 |
135076059 |
1 |
WO6H8C12 |
AB6C8D12 |
80.2 |
5.44 |
-6.45 |
0.21 |
0 |
|
|
405961 |
135076060 |
1 |
OWC7H8 |
ABC7D8 |
225.26 |
3.34 |
-6.55 |
0.18 |
0 |
|
|
405962 |
135076077 |
1 |
FOH15C17 |
ABC15D17 |
-31.16 |
3.14 |
-9.72 |
-0.6 |
0 |
|
|
405963 |
135076078 |
1 |
BrOCl2F3H10C17 |
ABC2D3E10F17 |
-151.85 |
2.64 |
-9.88 |
-1.51 |
0 |
|
|
405964 |
135076079 |
1 |
OCl2F3H11C17 |
AB2C3D11E17 |
-157.67 |
4.0 |
-9.9 |
-1.01 |
0 |
|
|
405965 |
135076120 |
2 |
FH6C10 |
AB6C10 |
28.74 |
2.08 |
-8.98 |
-0.94 |
0 |
|
|
405966 |
135076126 |
1 |
NH19C22 |
AB19C22 |
98.99 |
1.78 |
-8.74 |
-0.42 |
0 |
|
|
405967 |
135076127 |
1 |
BrNO2C15H20 |
ABC2D15E20 |
-83.33 |
3.16 |
-9.47 |
-0.29 |
0 |
|
|
405968 |
135076130 |
1 |
SiO2C20H30 |
AB2C20D30 |
-61.54 |
2.37 |
-9.01 |
-0.54 |
0 |
|
|
405969 |
135076172 |
1 |
NO4C17H29 |
AB4C17D29 |
-209.32 |
3.45 |
-9.3 |
0.84 |
0 |
|
|
405970 |
135076173 |
1 |
BrFN2O2C15H20 |
ABC2D2E15F20 |
-110.43 |
4.73 |
-9.07 |
-0.55 |
0 |
|
|
405971 |
135076174 |
1 |
BrON2C19H23 |
ABC2D19E23 |
3.46 |
3.74 |
-8.71 |
-0.21 |
0 |
|
|
405972 |
135076175 |
1 |
FNOC9H10 |
ABCD9E10 |
-28.58 |
2.26 |
-9.19 |
-0.48 |
0 |
|
|
405973 |
135076176 |
2 |
IOC18H22 |
ABC18D22 |
-15.2 |
2.76 |
-8.41 |
-0.88 |
0 |
|
|
405974 |
135076177 |
1 |
IN2O8C22H23 |
AB2C8D22E23 |
-274.26 |
7.37 |
-9.15 |
-1.66 |
0 |
|
|
405975 |
135076178 |
1 |
OC9H16 |
AB9C16 |
-61.16 |
1.96 |
-9.8 |
1.1 |
0 |
|
|
405976 |
135076179 |
1 |
IN2O4C26H31 |
AB2C4D26E31 |
-94.29 |
2.3 |
-8.55 |
-0.94 |
0 |
|
|
405977 |
135076180 |
1 |
BrNO2C14H16 |
ABC2D14E16 |
-67.22 |
4.22 |
-8.89 |
-0.49 |
0 |
|
|
405978 |
135076181 |
1 |
BrNO4C16H20 |
ABC4D16E20 |
-142.02 |
4.58 |
-8.64 |
-0.41 |
0 |
|
|
405979 |
135076182 |
1 |
BrNO2C15H18 |
ABC2D15E18 |
-77.74 |
4.41 |
-8.85 |
-0.39 |
0 |
|
|
405980 |
135076183 |
1 |
IO2Si2C24H45 |
AB2C2D24E45 |
-193.56 |
1.32 |
-8.78 |
-0.84 |
0 |
|
|
405981 |
135076184 |
1 |
ISiO3C20H33 |
ABC3D20E33 |
-171.21 |
2.45 |
-8.7 |
-0.68 |
0 |
|
|
405982 |
135076185 |
1 |
INO4C17H20 |
ABC4D17E20 |
-127.06 |
3.62 |
-9.1 |
-0.93 |
0 |
|
|
405983 |
135076186 |
1 |
SF3O5C16H17 |
AB3C5D16E17 |
-331.22 |
4.15 |
-9.59 |
-1.58 |
0 |
|
|
405984 |
135076187 |
1 |
SF3O4C15H17 |
AB3C4D15E17 |
-288.72 |
3.76 |
-8.78 |
-1.54 |
0 |
|
|
405985 |
135076188 |
1 |
BrNO2C16H18 |
ABC2D16E18 |
-60.08 |
2.01 |
-8.4 |
-1.17 |
0 |
|
|
405986 |
135076189 |
1 |
BrNOH16C19 |
ABCD16E19 |
31.62 |
3.57 |
-8.34 |
-1.03 |
0 |
|
|
405987 |
135076190 |
1 |
BrO3C12H15 |
AB3C12D15 |
-114.93 |
3.92 |
-9.01 |
-0.17 |
0 |
|
|
405988 |
135076191 |
1 |
NO2F5H14C22 |
AB2C5D14E22 |
-222.62 |
3.82 |
-9.85 |
-1.31 |
0 |
|
|
405989 |
135076192 |
1 |
ClON3C17H24 |
ABC3D17E24 |
1.03 |
4.04 |
-9.22 |
-0.2 |
0 |
|
|
405990 |
135076193 |
1 |
NSO5C17H17 |
ABC5D17E17 |
-153.59 |
3.8 |
-9.5 |
-1.19 |
0 |
|
|
405991 |
135076194 |
1 |
NO4C11H13 |
AB4C11D13 |
-141.67 |
4.63 |
-9.69 |
-0.72 |
0 |
|
|
405992 |
135076195 |
1 |
IN2O3C20H23 |
AB2C3D20E23 |
-81.49 |
4.94 |
-8.92 |
-0.65 |
0 |
|
|
405993 |
135076196 |
1 |
ISiO6C21H23 |
ABC6D21E23 |
-211.46 |
4.72 |
-8.89 |
-0.79 |
0 |
|
|
405994 |
135076197 |
1 |
ISSiO8H25C26 |
ABCD8E25F26 |
-259.84 |
5.32 |
-8.92 |
-1.09 |
0 |
|
|
405995 |
135076198 |
1 |
IO3N4H11C12 |
AB3C4D11E12 |
80.06 |
3.52 |
-10.09 |
-2.1 |
0 |
|
|
405996 |
135076199 |
1 |
IOSN3C10H10 |
ABCD3E10F10 |
90.58 |
3.54 |
-9.38 |
-1.7 |
0 |
|
|
405997 |
135076200 |
1 |
OSiN3C32H33 |
ABC3D32E33 |
69.75 |
2.04 |
-8.72 |
-0.96 |
0 |
|
|
405998 |
135076201 |
1 |
NC19H23 |
AB19C23 |
43.99 |
2.07 |
-9.13 |
0.15 |
0 |
|
|
405999 |
135076202 |
1 |
OPH23C28 |
ABC23D28 |
58.73 |
5.29 |
-9.02 |
-0.23 |
0 |
|
|
406000 |
135076203 |
1 |
KN2P2Si2C31H39 |
AB2C2D2E31F39 |
-145.11 |
11.76 |
-6.75 |
0.25 |
0 |
|
|
406001 |
135076204 |
1 |
NC24H25 |
AB24C25 |
76.24 |
1.49 |
-9.22 |
0.16 |
0 |
|
|
406002 |
135076205 |
1 |
ClFN2O2S2H8C13 |
ABC2D2E2F8G13 |
-35.83 |
5.15 |
-9.49 |
-1.55 |
0 |
|
|
406003 |
135076216 |
1 |
CrNO6H23C30 |
ABC6D23E30 |
154.48 |
2.65 |
-7.08 |
0.07 |
0 |
|
|
406004 |
135076219 |
1 |
OSiN2C15H26 |
ABC2D15E26 |
-68.09 |
1.46 |
-8.69 |
-0.67 |
0 |
|
|
406005 |
135076222 |
1 |
N2H10C17 |
A2B10C17 |
177.05 |
4.56 |
-8.53 |
-0.83 |
0 |
|
|
406006 |
135076243 |
1 |
SSnC27H40 |
ABC27D40 |
16.56 |
1.9 |
-8.0 |
0.01 |
0 |
|
|
406007 |
135076263 |
1 |
NCl2O2C17H17 |
AB2C2D17E17 |
-59.97 |
6.64 |
-8.96 |
-0.28 |
0 |
|
|
406008 |
135076266 |
1 |
BrOF3H12C13 |
ABC3D12E13 |
-175.95 |
6.1 |
-9.46 |
-0.34 |
0 |
|
|
406009 |
135076267 |
1 |
BrNOC12H14 |
ABCD12E14 |
-10.0 |
2.16 |
-8.81 |
-0.12 |
0 |
|
|
406010 |
135076269 |
1 |
ON2F4H14C19 |
AB2C4D14E19 |
-126.15 |
7.51 |
-9.7 |
-1.69 |
0 |
|
|
406011 |
135076270 |
2 |
NOF2H6C9 |
ABC2D6E9 |
-146.5 |
7.42 |
-9.82 |
-1.77 |
0 |
|
|
406012 |
135076274 |
1 |
FN2S2O4H19C21 |
AB2C2D4E19F21 |
-132.94 |
4.59 |
-8.98 |
-1.37 |
0 |
|
|
406013 |
135076283 |
1 |
O3H26C32 |
A3B26C32 |
-26.7 |
2.75 |
-8.94 |
-0.66 |
0 |
|
|
406014 |
135076287 |
1 |
SCl3H7C14 |
AB3C7D14 |
95.26 |
2.71 |
-8.82 |
-1.11 |
0 |
|
|
406015 |
135076293 |
1 |
CrNO5H9C10 |
ABC5D9E10 |
-24.56 |
5.76 |
-7.21 |
0.71 |
0 |
|
|
406016 |
135076300 |
1 |
N3O3H7C11 |
A3B3C7D11 |
-0.71 |
2.03 |
-10.41 |
-1.39 |
0 |
|
|
406017 |
135076308 |
1 |
OH16C19 |
AB16C19 |
36.48 |
2.3 |
-8.41 |
-0.56 |
0 |
|
|
406018 |
135076309 |
1 |
O3C15H22 |
A3B15C22 |
-115.1 |
3.78 |
-9.34 |
0.35 |
0 |
|
|
406019 |
135076310 |
1 |
O3C15H20 |
A3B15C20 |
-87.09 |
3.06 |
-9.36 |
0.3 |
0 |
|
|
406020 |
135076311 |
1 |
NPO6H26C27 |
ABC6D26E27 |
-229.49 |
4.96 |
-8.84 |
-0.41 |
0 |
|
|
406021 |
135076312 |
1 |
SO3C16H16 |
AB3C16D16 |
-74.94 |
2.91 |
-9.18 |
-0.18 |
0 |
|
|
406022 |
135076313 |
1 |
NPO4H16C19 |
ABC4D16E19 |
-126.4 |
4.69 |
-9.6 |
-0.54 |
0 |
|
|
406023 |
135076314 |
1 |
OC17H26 |
AB17C26 |
-43.77 |
2.02 |
-8.79 |
0.32 |
0 |
|
|
406024 |
135076315 |
1 |
SnO4C28H46 |
AB4C28D46 |
-164.17 |
7.16 |
-9.16 |
-0.19 |
0 |
|
|
406025 |
135076316 |
1 |
ClNH16C17 |
ABC16D17 |
27.81 |
2.17 |
-9.13 |
-0.67 |
0 |