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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
14600 |
415873 |
2 |
NO3C10H18 |
AB3C10D18 |
-287.51 |
4.69 |
-8.68 |
-0.28 |
0 |
|
|
14601 |
415876 |
1 |
NSH11C14 |
ABC11D14 |
69.57 |
1.35 |
-8.56 |
-0.76 |
0 |
|
|
14602 |
415881 |
1 |
C3F3N4H5 |
A3B3C4D5 |
-114.25 |
5.95 |
-9.6 |
-0.66 |
0 |
|
|
14603 |
415888 |
1 |
O3N6C26H40 |
A3B6C26D40 |
-97.07 |
3.07 |
-8.8 |
-0.42 |
0 |
|
|
14604 |
415892 |
2 |
NOC7H14 |
ABC7D14 |
-118.05 |
1.58 |
-8.77 |
0.77 |
0 |
|
|
14605 |
415893 |
1 |
O3N5C21H30 |
A3B5C21D30 |
-56.19 |
6.27 |
0.0 |
0.0 |
1 |
|
|
14606 |
415894 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-59.21 |
3.44 |
-8.62 |
-0.48 |
0 |
|
|
14607 |
415898 |
1 |
PN3O7C18H36 |
AB3C7D18E36 |
-364.61 |
2.6 |
-8.73 |
0.42 |
0 |
|
|
14608 |
416005 |
1 |
PCl2N2O2C16H25 |
AB2C2D2E16F25 |
-161.94 |
4.3 |
-9.46 |
0.12 |
0 |
|
|
14609 |
416006 |
1 |
PCl2N2O3C15H23 |
AB2C2D3E15F23 |
-190.49 |
2.21 |
-9.6 |
0.06 |
0 |
|
|
14610 |
416042 |
1 |
NO2C10H16 |
AB2C10D16 |
-58.84 |
11.95 |
0.0 |
0.0 |
1 |
|
|
14611 |
416046 |
1 |
SO6N8H28C33 |
AB6C8D28E33 |
-19.3 |
7.71 |
-8.45 |
-1.57 |
0 |
|
|
14612 |
416136 |
2 |
FN2H6C7 |
AB2C6D7 |
-2.16 |
3.73 |
-8.8 |
-0.56 |
0 |
|
|
14613 |
416146 |
1 |
SN4C6H6 |
AB4C6D6 |
100.31 |
2.54 |
-9.83 |
-1.78 |
0 |
|
|
14614 |
416148 |
3 |
ON3C10H11 |
AB3C10D11 |
-26.39 |
8.01 |
-8.71 |
-1.04 |
0 |
|
|
14615 |
416149 |
3 |
ON3C10H11 |
AB3C10D11 |
-23.75 |
8.72 |
-8.69 |
-0.7 |
0 |
|
|
14616 |
416150 |
1 |
NO4C9H17 |
AB4C9D17 |
-204.75 |
5.68 |
-10.5 |
0.01 |
0 |
|
|
14617 |
416152 |
1 |
O6H7N7C8 |
A6B7C7D8 |
70.91 |
5.27 |
-9.86 |
-2.33 |
0 |
|
|
14618 |
416153 |
1 |
O2N4C9H10 |
A2B4C9D10 |
11.46 |
4.42 |
-10.54 |
-1.8 |
0 |
|
|
14619 |
416154 |
1 |
ON4C6H6 |
AB4C6D6 |
11.13 |
6.12 |
-8.36 |
-0.98 |
0 |
|
|
14620 |
416167 |
2 |
N2C4H9 |
A2B4C9 |
13.68 |
0.99 |
-8.87 |
0.31 |
0 |
|
|
14621 |
416177 |
1 |
NF2O3C14H21 |
AB2C3D14E21 |
-189.38 |
1.35 |
-8.69 |
0.07 |
0 |
|
|
14622 |
416346 |
1 |
ClHgH4C6 |
ABC4D6 |
55.61 |
1.38 |
0.0 |
0.0 |
0 |
|
|
14623 |
416347 |
1 |
ClO2C16H17 |
AB2C16D17 |
-46.29 |
0.72 |
-8.84 |
-0.18 |
0 |
|
|
14624 |
416348 |
1 |
NO2C19H37 |
AB2C19D37 |
-154.6 |
1.55 |
-8.67 |
0.85 |
0 |
|
|
14625 |
416362 |
1 |
NOC24H54 |
ABC24D54 |
-124.25 |
2.28 |
0.0 |
0.0 |
1 |
|
|
14626 |
416377 |
1 |
O2N7C21H23 |
A2B7C21D23 |
9.88 |
4.4 |
-8.9 |
-0.6 |
0 |
|
|
14627 |
416387 |
1 |
O4N7H27C28 |
A4B7C27D28 |
39.77 |
3.76 |
-8.97 |
-2.0 |
0 |
|
|
14628 |
416395 |
1 |
N5C13H13 |
A5B13C13 |
92.19 |
4.93 |
-8.71 |
-0.86 |
0 |
|
|
14629 |
416401 |
1 |
ON2H17C18 |
AB2C17D18 |
72.17 |
4.99 |
0.0 |
0.0 |
1 |
|
|
14630 |
416402 |
1 |
NSO3H26C27 |
ABC3D26E27 |
-51.99 |
5.79 |
0.0 |
0.0 |
1 |
|
|
14631 |
416403 |
1 |
NH18C20 |
AB18C20 |
62.39 |
1.49 |
0.0 |
0.0 |
1 |
|
|
14632 |
416404 |
1 |
BrN3H12C18 |
AB3C12D18 |
158.35 |
7.1 |
-8.3 |
-1.43 |
0 |
|
|
14633 |
416405 |
1 |
N3C17H17 |
A3B17C17 |
100.39 |
6.52 |
-8.11 |
-0.93 |
0 |
|
|
14634 |
416407 |
1 |
O5N8H22C27 |
A5B8C22D27 |
11.74 |
14.77 |
-8.63 |
-1.77 |
0 |
|
|
14635 |
416408 |
1 |
ClS2N7O8H22C29 |
AB2C7D8E22F29 |
-107.05 |
13.27 |
-9.26 |
-1.7 |
0 |
|
|
14636 |
416461 |
1 |
SC4H4N6 |
AB4C4D6 |
136.77 |
8.29 |
-10.02 |
-1.95 |
0 |
|
|
14637 |
416521 |
1 |
O5N8H26C33 |
A5B8C26D33 |
30.94 |
3.96 |
-8.34 |
-1.51 |
0 |
|
|
14638 |
416603 |
1 |
SN3O4C14H15 |
AB3C4D14E15 |
-61.78 |
2.95 |
-8.46 |
-1.21 |
0 |
|
|
14639 |
416605 |
1 |
HgO12C17H25 |
AB12C17D25 |
-515.47 |
8.45 |
0.0 |
0.0 |
0 |
|
|
14640 |
416649 |
1 |
ON3C21H25 |
AB3C21D25 |
9.68 |
5.14 |
-8.27 |
-0.42 |
0 |
|
|
14641 |
416681 |
1 |
AsSO5N6C13H13 |
ABC5D6E13F13 |
13.65 |
4.02 |
-9.84 |
-2.28 |
0 |
|
|
14642 |
416687 |
1 |
O2S3N7H9C11 |
A2B3C7D9E11 |
117.1 |
5.84 |
-9.84 |
-2.16 |
0 |
|
|
14643 |
416688 |
2 |
N2O5C13H13 |
A2B5C13D13 |
-339.16 |
3.68 |
-8.97 |
-1.82 |
0 |
|
|
14644 |
416773 |
1 |
SN3O7C13H21 |
AB3C7D13E21 |
-301.53 |
1.11 |
-9.73 |
-0.66 |
0 |
|
|
14645 |
416800 |
1 |
PbN2O2C18H24 |
AB2C2D18E24 |
48.52 |
2.86 |
-5.86 |
-1.53 |
0 |
|
|
14646 |
416872 |
2 |
NSO3C5H12 |
ABC3D5E12 |
-263.57 |
4.69 |
-8.9 |
0.08 |
0 |
|
|
14647 |
416873 |
1 |
NO10C30H31 |
AB10C30D31 |
-281.53 |
6.63 |
-8.54 |
-1.67 |
0 |
|
|
14648 |
416889 |
1 |
NO9H31C34 |
AB9C31D34 |
-271.4 |
8.76 |
-8.17 |
-1.03 |
0 |
|
|
14649 |
416909 |
1 |
N2C19H24 |
A2B19C24 |
45.28 |
0.93 |
-8.76 |
0.34 |
0 |
|
|
14650 |
416913 |
1 |
O3N4C29H30 |
A3B4C29D30 |
27.03 |
7.01 |
-8.72 |
-0.04 |
0 |
|
|
14651 |
416915 |
1 |
NO2C16H21 |
AB2C16D21 |
-59.15 |
2.95 |
-8.48 |
-0.05 |
0 |
|
|
14652 |
416940 |
1 |
OPC22H24 |
ABC22D24 |
29.16 |
6.94 |
0.0 |
0.0 |
0 |
|
|
14653 |
416963 |
1 |
ON3C16H21 |
AB3C16D21 |
-16.25 |
3.49 |
-8.59 |
-0.47 |
0 |
|
|
14654 |
417034 |
1 |
O2S2N6C23H26 |
A2B2C6D23E26 |
16.3 |
4.65 |
-8.84 |
-0.81 |
0 |
|
|
14655 |
417044 |
1 |
N2O2H22C23 |
A2B2C22D23 |
14.6 |
1.13 |
-7.79 |
-0.78 |
0 |
|
|
14656 |
417052 |
1 |
ON2C13H14 |
AB2C13D14 |
8.42 |
3.67 |
-8.13 |
-0.41 |
0 |
|
|
14657 |
417054 |
1 |
PC24H26 |
AB24C26 |
79.49 |
8.05 |
0.0 |
0.0 |
0 |
|
|
14658 |
417057 |
1 |
SN3O3C13H13 |
AB3C3D13E13 |
-24.87 |
3.22 |
-8.79 |
-1.17 |
0 |
|
|
14660 |
417091 |
1 |
ON2H18C21 |
AB2C18D21 |
77.57 |
5.0 |
-7.77 |
-0.8 |
0 |
|
|
14661 |
417092 |
1 |
ON2H18C21 |
AB2C18D21 |
58.12 |
1.19 |
-8.03 |
-0.8 |
0 |
|
|
14662 |
417093 |
1 |
SN2O6C23H23 |
AB2C6D23E23 |
-162.38 |
5.3 |
0.0 |
0.0 |
1 |
|
|
14663 |
417114 |
1 |
N2O5C26H30 |
A2B5C26D30 |
-124.94 |
2.34 |
-8.42 |
-0.1 |
0 |
|
|
14664 |
417140 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-70.67 |
1.19 |
-8.4 |
0.37 |
0 |
|
|
14665 |
417163 |
1 |
N2C9H12 |
A2B9C12 |
37.84 |
2.07 |
-8.35 |
0.6 |
0 |
|
|
14666 |
417172 |
1 |
ON2C11H12 |
AB2C11D12 |
62.51 |
2.98 |
-7.85 |
-0.35 |
0 |
|
|
14667 |
417174 |
1 |
NO3C29H48 |
AB3C29D48 |
-153.22 |
3.02 |
0.0 |
0.0 |
1 |
|
|
14668 |
417211 |
1 |
NC24H26 |
AB24C26 |
105.24 |
4.32 |
0.0 |
0.0 |
1 |
|
|
14669 |
417219 |
2 |
NO5C10H13 |
AB5C10D13 |
-423.19 |
4.54 |
-8.18 |
0.28 |
0 |
|
|
14670 |
417263 |
1 |
NO2C21H25 |
AB2C21D25 |
-53.13 |
1.78 |
-8.81 |
0.06 |
0 |
|
|
14671 |
417264 |
1 |
BrNO2C27H28 |
ABC2D27E28 |
-24.5 |
2.73 |
-8.88 |
-0.34 |
0 |
|
|
14672 |
417272 |
1 |
NO2C18H27 |
AB2C18D27 |
-99.83 |
0.78 |
-8.81 |
0.33 |
0 |
|
|
14673 |
417291 |
1 |
O8C39H60 |
A8B39C60 |
-372.32 |
0.45 |
-9.97 |
-2.17 |
0 |
|
|
14674 |
417294 |
1 |
ClNO2C10H13 |
ABC2D10E13 |
-73.54 |
1.36 |
0.0 |
0.0 |
1 |
|
|
14675 |
417295 |
1 |
ClO2N3C13H19 |
AB2C3D13E19 |
-64.87 |
2.62 |
0.0 |
0.0 |
1 |
|
|
14676 |
417352 |
1 |
NO2C17H21 |
AB2C17D21 |
-53.22 |
1.82 |
-8.47 |
-0.27 |
0 |
|
|
14677 |
417353 |
1 |
SN2O6C23H23 |
AB2C6D23E23 |
-145.92 |
6.13 |
0.0 |
0.0 |
1 |
|
|
14678 |
417373 |
1 |
OSC22H29 |
ABC22D29 |
-25.96 |
5.04 |
0.0 |
0.0 |
0 |
|
|
14679 |
417395 |
1 |
O2N3C7H9 |
A2B3C7D9 |
-48.63 |
5.58 |
-9.96 |
-1.06 |
0 |
|
|
14680 |
417474 |
1 |
ClN2C10H11 |
AB2C10D11 |
22.11 |
1.87 |
-9.01 |
-0.18 |
0 |
|
|
14681 |
417475 |
1 |
ClN2C6H13 |
AB2C6D13 |
-9.08 |
2.22 |
-8.99 |
0.82 |
0 |
|
|
14682 |
417479 |
2 |
N3O5C26H34 |
A3B5C26D34 |
-401.75 |
7.35 |
-9.62 |
-0.43 |
0 |
|
|
14683 |
417488 |
1 |
CuI2N2O6H10C16 |
AB2C2D6E10F16 |
-22.21 |
9.05 |
0.0 |
0.0 |
0 |
|
|
14684 |
417577 |
1 |
Zn2O8C23H29 |
A2B8C23D29 |
-201.08 |
7.53 |
0.0 |
0.0 |
-1 |
|
|
14685 |
417582 |
1 |
OPC15H24 |
ABC15D24 |
-55.56 |
2.97 |
0.0 |
0.0 |
1 |
|
|
14686 |
417714 |
1 |
NC11H20 |
AB11C20 |
43.31 |
1.64 |
0.0 |
0.0 |
1 |
|
|
14687 |
417733 |
1 |
Cl3N3O4C32H40 |
A3B3C4D32E40 |
-99.55 |
4.62 |
-8.1 |
0.17 |
0 |
|
|
14688 |
417769 |
1 |
NSO6C13H16 |
ABC6D13E16 |
-179.61 |
3.5 |
0.0 |
0.0 |
1 |
|
|
14689 |
417770 |
1 |
NO2C12H12 |
AB2C12D12 |
-41.04 |
2.76 |
0.0 |
0.0 |
1 |
|
|
14690 |
417935 |
1 |
N2C18H31 |
A2B18C31 |
-25.93 |
2.59 |
0.0 |
0.0 |
1 |
|
|
14691 |
417959 |
1 |
SO5C17H24 |
AB5C17D24 |
-178.71 |
6.48 |
-8.88 |
-0.3 |
0 |
|
|
14692 |
417987 |
1 |
OSN2H17C18 |
ABC2D17E18 |
30.25 |
2.59 |
0.0 |
0.0 |
1 |
|
|
14693 |
417988 |
2 |
N2C9H13 |
A2B9C13 |
33.47 |
2.44 |
-7.58 |
0.47 |
0 |
|
|
14694 |
417997 |
1 |
SC21H45 |
AB21C45 |
-97.62 |
1.9 |
0.0 |
0.0 |
0 |
|
|
14695 |
418001 |
1 |
AlO5C6H17 |
AB5C6D17 |
-249.37 |
4.24 |
-10.55 |
0.42 |
0 |
|
|
14696 |
418014 |
1 |
ClNH8C10 |
ABC8D10 |
28.72 |
2.22 |
-8.33 |
-0.57 |
0 |
|
|
14697 |
418029 |
1 |
NC7H17 |
AB7C17 |
-25.36 |
1.45 |
-8.48 |
2.94 |
0 |
|
|
14698 |
418065 |
1 |
S2C11H23 |
A2B11C23 |
-27.71 |
3.4 |
0.0 |
0.0 |
0 |
|
|
14699 |
418145 |
1 |
SO2N3H8C12 |
AB2C3D8E12 |
83.05 |
1.76 |
0.0 |
0.0 |
1 |
|
|
14700 |
418163 |
1 |
NSH10C13 |
ABC10D13 |
76.09 |
2.51 |
0.0 |
0.0 |
1 |