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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
17922 |
527878 |
1 |
ClO2C10H19 |
AB2C10D19 |
-147.64 |
4.17 |
-10.55 |
0.8 |
0 |
|
|
17923 |
527930 |
1 |
ClO2C11H21 |
AB2C11D21 |
-152.09 |
4.01 |
-10.48 |
0.8 |
0 |
|
|
17924 |
527969 |
1 |
ClO2C13H25 |
AB2C13D25 |
-160.88 |
1.7 |
-10.66 |
0.66 |
0 |
|
|
17925 |
528067 |
1 |
NO3Si3C27H53 |
AB3C3D27E53 |
-312.66 |
2.71 |
-8.76 |
0.14 |
0 |
|
|
17926 |
528092 |
1 |
NO2C9H11 |
AB2C9D11 |
-75.04 |
1.86 |
-8.73 |
0.1 |
0 |
|
|
17927 |
528301 |
1 |
ON2C15H26 |
AB2C15D26 |
-47.93 |
1.55 |
-9.34 |
-0.42 |
0 |
|
|
17928 |
528302 |
1 |
SN2C15H26 |
AB2C15D26 |
-8.34 |
0.94 |
-8.71 |
-0.6 |
0 |
|
|
17929 |
528303 |
1 |
SN2C8H12 |
AB2C8D12 |
23.33 |
1.45 |
-8.66 |
-0.56 |
0 |
|
|
17930 |
528618 |
1 |
NOC7H13 |
ABC7D13 |
-43.72 |
3.76 |
-9.72 |
1.07 |
0 |
|
|
17932 |
528806 |
2 |
OC16H26 |
AB16C26 |
-131.9 |
2.69 |
-8.6 |
0.06 |
0 |
|
|
17933 |
528808 |
2 |
OC14H22 |
AB14C22 |
-113.33 |
4.1 |
-8.53 |
-0.1 |
0 |
|
|
17934 |
528810 |
1 |
SiO3C17H20 |
AB3C17D20 |
-140.49 |
3.09 |
-9.47 |
-0.49 |
0 |
|
|
17935 |
528811 |
1 |
Si3O5C25H38 |
A3B5C25D38 |
-323.19 |
3.53 |
-8.75 |
-0.35 |
0 |
|
|
17936 |
528812 |
1 |
Si2O5C23H32 |
A2B5C23D32 |
-260.73 |
2.07 |
-8.72 |
-0.34 |
0 |
|
|
17937 |
528841 |
1 |
O4C17H34 |
A4B17C34 |
-230.6 |
1.87 |
-9.67 |
0.8 |
0 |
|
|
17938 |
529128 |
1 |
NSiC8H21 |
ABC8D21 |
-72.76 |
1.34 |
-8.63 |
1.62 |
0 |
|
|
17939 |
529175 |
1 |
NC8H17 |
AB8C17 |
-22.61 |
2.35 |
-9.56 |
1.4 |
0 |
|
|
17940 |
529193 |
1 |
NOSi3C11H31 |
ABC3D11E31 |
-206.68 |
1.2 |
-8.87 |
1.31 |
0 |
|
|
17941 |
529196 |
1 |
BrSiO2C10H13 |
ABC2D10E13 |
-114.93 |
3.67 |
-9.93 |
-0.71 |
0 |
|
|
17942 |
529207 |
1 |
NO2Si3C13H33 |
AB2C3D13E33 |
-257.16 |
2.61 |
-8.93 |
0.72 |
0 |
|
|
17943 |
529247 |
1 |
N2O5Si5C36H70 |
A2B5C5D36E70 |
-400.86 |
1.7 |
-8.65 |
0.05 |
0 |
|
|
17944 |
529250 |
1 |
NOC10H17 |
ABC10D17 |
-46.28 |
2.16 |
-10.18 |
-0.35 |
0 |
|
|
17945 |
529251 |
1 |
NOC7H11 |
ABC7D11 |
-31.03 |
2.23 |
-10.17 |
-0.32 |
0 |
|
|
17946 |
529254 |
1 |
O3C10H18 |
A3B10C18 |
-161.96 |
2.24 |
-10.13 |
0.11 |
0 |
|
|
17947 |
529348 |
1 |
NC9H13 |
AB9C13 |
3.2 |
2.68 |
-9.63 |
0.15 |
0 |
|
|
17948 |
529351 |
1 |
NC8H9 |
AB8C9 |
37.91 |
2.71 |
-10.0 |
-0.16 |
0 |
|
|
17949 |
529373 |
1 |
NSiO7C20H39 |
ABC7D20E39 |
-415.35 |
3.18 |
-9.14 |
0.01 |
0 |
|
|
17950 |
529374 |
1 |
SiN2O4C22H34 |
AB2C4D22E34 |
-228.19 |
3.45 |
-8.43 |
0.04 |
0 |
|
|
17951 |
529443 |
1 |
C13H20 |
A13B20 |
-14.25 |
0.76 |
-9.17 |
0.5 |
0 |
|
|
17952 |
529444 |
1 |
C13H20 |
A13B20 |
-13.28 |
0.7 |
-9.24 |
0.47 |
0 |
|
|
17953 |
529473 |
1 |
Si3O4C14H34 |
A3B4C14D34 |
-356.04 |
2.18 |
-9.62 |
1.07 |
0 |
|
|
17954 |
529474 |
1 |
Si4O5C18H44 |
A4B5C18D44 |
-456.39 |
1.5 |
-9.69 |
1.21 |
0 |
|
|
17955 |
529572 |
4 |
SiC7H16 |
AB7C16 |
-177.12 |
0.28 |
-6.5 |
-0.34 |
0 |
|
|
17956 |
529762 |
1 |
SO2C6H10 |
AB2C6D10 |
-78.33 |
3.34 |
-8.99 |
-0.01 |
0 |
|
|
17957 |
529840 |
2 |
OC9H17 |
AB9C17 |
-149.23 |
1.76 |
-9.53 |
0.86 |
0 |
|
|
17958 |
530030 |
1 |
NSiO2C23H41 |
ABC2D23E41 |
-159.57 |
2.12 |
-9.21 |
1.21 |
0 |
|
|
17959 |
530035 |
1 |
NSi3O4C31H61 |
AB3C4D31E61 |
-363.64 |
4.97 |
-9.06 |
1.22 |
0 |
|
|
17960 |
530037 |
9 |
CH2 |
AB2 |
-41.81 |
0.1 |
-10.58 |
3.86 |
0 |
|
|
17961 |
530038 |
2 |
C11H23 |
A11B23 |
-103.01 |
0.11 |
-10.27 |
4.08 |
0 |
|
|
17962 |
530039 |
9 |
CH2 |
AB2 |
-43.91 |
0.15 |
-10.6 |
3.89 |
0 |
|
|
17963 |
530040 |
2 |
OC10H14 |
AB10C14 |
-103.38 |
7.98 |
-9.68 |
0.1 |
0 |
|
|
17964 |
530191 |
1 |
N2O2Si2C11H22 |
A2B2C2D11E22 |
-167.67 |
7.62 |
-9.02 |
0.29 |
0 |
|
|
17965 |
530416 |
1 |
NSi2O3C12H25 |
AB2C3D12E25 |
-224.26 |
0.61 |
-9.61 |
0.43 |
0 |
|
|
17966 |
530420 |
1 |
OC20H34 |
AB20C34 |
-109.87 |
2.2 |
-9.96 |
2.92 |
0 |
|
|
17967 |
530440 |
2 |
OC10H16 |
AB10C16 |
-127.31 |
2.57 |
-9.77 |
-0.45 |
0 |
|
|
17968 |
530450 |
1 |
O2C23H34 |
A2B23C34 |
-79.95 |
2.88 |
-9.74 |
-0.43 |
0 |
|
|
17969 |
530487 |
1 |
O3C18H22 |
A3B18C22 |
-127.46 |
0.93 |
-9.09 |
-0.55 |
0 |
|
|
17970 |
530497 |
1 |
O2F3C22H25 |
A2B3C22D25 |
-247.74 |
3.79 |
-10.08 |
-1.23 |
0 |
|
|
17971 |
530606 |
1 |
O3C24H40 |
A3B24C40 |
-178.53 |
4.07 |
-9.27 |
-0.35 |
0 |
|
|
17972 |
530609 |
1 |
O2C13H22 |
A2B13C22 |
-119.67 |
2.58 |
-9.56 |
0.88 |
0 |
|
|
17973 |
530657 |
2 |
OC9H11 |
AB9C11 |
-33.02 |
1.97 |
-9.57 |
-0.48 |
0 |
|
|
17974 |
530691 |
1 |
O2F3H7C11 |
A2B3C7D11 |
-142.82 |
0.73 |
-10.62 |
-1.33 |
0 |
|
|
17975 |
530698 |
1 |
O2F3C18H19 |
A2B3C18D19 |
-159.56 |
0.88 |
-9.73 |
-1.28 |
0 |
|
|
17976 |
530720 |
1 |
ClO3C11H11 |
AB3C11D11 |
-91.48 |
4.61 |
-9.35 |
-0.61 |
0 |
|
|
17977 |
530723 |
2 |
FOH4C6 |
ABC4D6 |
-82.7 |
3.36 |
-9.88 |
-1.18 |
0 |
|
|
17978 |
530932 |
1 |
ClO2C7H11 |
AB2C7D11 |
-98.81 |
2.43 |
-10.11 |
0.09 |
0 |
|
|
17979 |
530991 |
1 |
O2F5H15C16 |
A2B5C15D16 |
-257.16 |
2.95 |
-10.58 |
-1.69 |
0 |
|
|
17980 |
531297 |
1 |
OSiC19H38 |
ABC19D38 |
-117.5 |
2.28 |
-9.14 |
1.19 |
0 |
|
|
17981 |
531298 |
1 |
OSiC20H38 |
ABC20D38 |
-103.67 |
1.2 |
-9.25 |
0.31 |
0 |
|
|
17982 |
531413 |
1 |
FNO3C10H10 |
ABC3D10E10 |
-149.4 |
2.46 |
-10.17 |
-0.67 |
0 |
|
|
17983 |
531644 |
1 |
O2F3C15H17 |
A2B3C15D17 |
-233.85 |
2.11 |
-10.13 |
-1.19 |
0 |
|
|
17984 |
531685 |
1 |
ClO2C18H35 |
AB2C18D35 |
-182.3 |
2.73 |
-10.6 |
0.76 |
0 |
|
|
17985 |
531701 |
1 |
BrO2C19H37 |
AB2C19D37 |
-174.2 |
2.28 |
-10.47 |
-0.15 |
0 |
|
|
17986 |
531727 |
1 |
O3C25H42 |
A3B25C42 |
-177.46 |
3.04 |
-9.19 |
-0.3 |
0 |
|
|
17987 |
531775 |
1 |
NO2C12H17 |
AB2C12D17 |
-80.36 |
4.67 |
-8.28 |
0.13 |
0 |
|
|
17988 |
531875 |
1 |
ClNOH14C15 |
ABCD14E15 |
-16.08 |
6.28 |
-9.05 |
-0.6 |
0 |
|
|
17989 |
531878 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-9.69 |
9.78 |
-9.43 |
-1.28 |
0 |
|
|
17990 |
532003 |
1 |
BrNOH12C17 |
ABCD12E17 |
28.9 |
3.03 |
-8.6 |
-0.88 |
0 |
|
|
17991 |
532007 |
1 |
FNOH12C14 |
ABCD12E14 |
-49.27 |
2.38 |
-8.9 |
-0.76 |
0 |
|
|
17992 |
532094 |
1 |
NO2C12H15 |
AB2C12D15 |
-63.31 |
4.86 |
-8.16 |
0.14 |
0 |
|
|
17993 |
532118 |
1 |
NCl2O2C7H11 |
AB2C2D7E11 |
-111.69 |
3.92 |
-9.9 |
-0.39 |
0 |
|
|
17994 |
532292 |
1 |
NO2H9C11 |
AB2C9D11 |
-9.23 |
6.08 |
-9.76 |
-0.82 |
0 |
|
|
17995 |
532295 |
2 |
OH6C7 |
AB6C7 |
-24.78 |
1.89 |
-8.83 |
-0.52 |
0 |
|
|
17996 |
532298 |
2 |
OC8H8 |
AB8C8 |
-56.63 |
1.69 |
-9.2 |
0.04 |
0 |
|
|
17997 |
532480 |
1 |
F3O3H11C15 |
A3B3C11D15 |
-227.63 |
3.58 |
-8.89 |
-1.43 |
0 |
|
|
17998 |
532489 |
1 |
BrO3H11C14 |
AB3C11D14 |
-61.67 |
1.37 |
-8.64 |
-0.82 |
0 |
|
|
17999 |
532526 |
1 |
O3H14C15 |
A3B14C15 |
-75.71 |
4.55 |
-9.02 |
-0.6 |
0 |
|
|
18000 |
532527 |
1 |
ClO3H11C14 |
AB3C11D14 |
-75.25 |
6.0 |
-9.1 |
-0.82 |
0 |
|
|
18001 |
532533 |
1 |
O3H14C18 |
A3B14C18 |
-49.14 |
4.39 |
-8.66 |
-0.73 |
0 |
|
|
18002 |
532611 |
1 |
NOSiH17C20 |
ABCD17E20 |
16.39 |
4.74 |
-9.46 |
-0.67 |
0 |
|
|
18003 |
532631 |
1 |
OSiC21H38 |
ABC21D38 |
-136.88 |
0.61 |
-8.96 |
0.37 |
0 |
|
|
18004 |
532632 |
1 |
ClOSiC20H35 |
ABCD20E35 |
-138.52 |
2.21 |
-9.04 |
-0.16 |
0 |
|
|
18005 |
532651 |
1 |
OSiC11H16 |
ABC11D16 |
-65.56 |
0.55 |
-9.01 |
0.34 |
0 |
|
|
18006 |
532652 |
1 |
ClOSiC10H13 |
ABCD10E13 |
-65.22 |
2.08 |
-9.07 |
-0.18 |
0 |
|
|
18007 |
532655 |
1 |
OSiC14H24 |
ABC14D24 |
-112.46 |
0.58 |
-8.88 |
0.54 |
0 |
|
|
18008 |
532780 |
1 |
ClSO2H7C11 |
ABC2D7E11 |
-31.23 |
4.16 |
-9.28 |
-1.28 |
0 |
|
|
18009 |
533085 |
1 |
ClNOC18H36 |
ABCD18E36 |
-129.55 |
4.41 |
-9.45 |
0.21 |
0 |
|
|
18010 |
533112 |
1 |
NOC30H53 |
ABC30D53 |
-126.59 |
4.31 |
-9.35 |
0.2 |
0 |
|
|
18011 |
533344 |
1 |
ClNOC18H36 |
ABCD18E36 |
-130.51 |
5.39 |
-9.22 |
0.84 |
0 |
|
|
18012 |
533501 |
2 |
NOC4H7 |
ABC4D7 |
-89.42 |
4.15 |
-9.18 |
0.97 |
0 |
|
|
18013 |
533593 |
1 |
FeN2O3C17H24 |
AB2C3D17E24 |
42.66 |
1.12 |
-6.73 |
0.28 |
0 |
|
|
18014 |
533762 |
1 |
NO3C8H9 |
AB3C8D9 |
-67.03 |
4.79 |
-10.73 |
-0.55 |
0 |
|
|
18015 |
533764 |
2 |
O2N3H8C9 |
A2B3C8D9 |
11.36 |
6.0 |
-9.15 |
-1.4 |
0 |
|
|
18016 |
533765 |
1 |
OC14H16 |
AB14C16 |
37.21 |
3.11 |
-9.51 |
0.11 |
0 |
|
|
18017 |
533788 |
2 |
NOC7H7 |
ABC7D7 |
-27.94 |
4.01 |
-8.86 |
-0.56 |
0 |
|
|
18018 |
533946 |
1 |
NO5C9H15 |
AB5C9D15 |
-237.65 |
5.17 |
-10.18 |
0.11 |
0 |
|
|
18019 |
533979 |
6 |
COH2 |
ABC2 |
-247.81 |
1.45 |
-10.3 |
-0.67 |
0 |
|
|
18020 |
533980 |
1 |
NiN4O8C26H40 |
AB4C8D26E40 |
-294.78 |
8.32 |
-7.56 |
-0.44 |
0 |
|
|
18021 |
534028 |
1 |
N2O2C3H6 |
A2B2C3D6 |
11.0 |
4.68 |
-10.63 |
-0.45 |
0 |
|
|
18022 |
534105 |
2 |
OC2H3N5 |
AB2C3D5 |
171.09 |
5.46 |
-10.0 |
-1.98 |
0 |