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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71552 |
48415030 |
1 |
BrClN2O2C16H18 |
ABC2D2E16F18 |
-6.11 |
1.82 |
-9.02 |
-0.77 |
0 |
|
|
71553 |
48415031 |
1 |
BrFN2O2C16H18 |
ABC2D2E16F18 |
-43.08 |
1.95 |
-8.96 |
-0.81 |
0 |
|
|
71554 |
48415032 |
1 |
BrFN2O2C16H18 |
ABC2D2E16F18 |
-45.33 |
2.35 |
-9.04 |
-0.56 |
0 |
|
|
71555 |
48415033 |
2 |
NOC9H12 |
ABC9D12 |
-19.46 |
2.41 |
-8.86 |
0.02 |
0 |
|
|
71556 |
48415034 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-57.1 |
4.19 |
-8.86 |
-0.36 |
0 |
|
|
71557 |
48415035 |
1 |
BrO2N3C18H22 |
AB2C3D18E22 |
-12.11 |
0.98 |
-9.0 |
-0.7 |
0 |
|
|
71558 |
48415036 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-59.8 |
1.85 |
-8.96 |
-0.83 |
0 |
|
|
71559 |
48415039 |
1 |
ON3C20H25 |
AB3C20D25 |
35.25 |
2.57 |
-8.36 |
0.09 |
0 |
|
|
71560 |
48415041 |
1 |
BrON2C15H17 |
ABC2D15E17 |
38.4 |
3.69 |
-8.97 |
-0.58 |
0 |
|
|
71561 |
48415042 |
1 |
ON3C18H21 |
AB3C18D21 |
43.8 |
4.52 |
-8.56 |
-0.08 |
0 |
|
|
71562 |
48415046 |
1 |
ON2C16H20 |
AB2C16D20 |
25.57 |
4.01 |
-8.8 |
-0.1 |
0 |
|
|
71563 |
48415049 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-54.38 |
4.02 |
-8.51 |
-0.11 |
0 |
|
|
71564 |
48415051 |
1 |
N3O4C22H31 |
A3B4C22D31 |
-108.93 |
3.95 |
-8.73 |
-0.36 |
0 |
|
|
71565 |
48415052 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-53.41 |
0.98 |
-8.98 |
-0.4 |
0 |
|
|
71566 |
48415053 |
1 |
F2O2N3C20H25 |
A2B2C3D20E25 |
-118.72 |
3.45 |
-8.78 |
-0.92 |
0 |
|
|
71567 |
48415055 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-50.55 |
3.33 |
-8.56 |
-0.11 |
0 |
|
|
71568 |
48415056 |
1 |
ClON4C20H23 |
ABC4D20E23 |
58.55 |
2.62 |
-8.94 |
-0.82 |
0 |
|
|
71569 |
48415057 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-56.66 |
5.54 |
-8.72 |
-0.52 |
0 |
|
|
71570 |
48415058 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-66.8 |
7.27 |
-8.56 |
-0.61 |
0 |
|
|
71571 |
48415059 |
2 |
NOC8H10 |
ABC8D10 |
-0.89 |
2.72 |
-8.93 |
0.02 |
0 |
|
|
71572 |
48415060 |
1 |
ON2C19H20 |
AB2C19D20 |
52.04 |
3.84 |
-8.85 |
-0.76 |
0 |
|
|
71573 |
48415061 |
1 |
SN3O4C19H25 |
AB3C4D19E25 |
-81.89 |
3.42 |
-9.05 |
-0.97 |
0 |
|
|
71574 |
48415062 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-43.78 |
5.87 |
-9.02 |
-0.9 |
0 |
|
|
71575 |
48415063 |
1 |
ClSN3O3C19H26 |
ABC3D3E19F26 |
-64.39 |
6.52 |
-9.02 |
-1.12 |
0 |
|
|
71576 |
48415064 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-53.24 |
6.8 |
-8.96 |
-0.8 |
0 |
|
|
71577 |
48415066 |
2 |
FNOC8H9 |
ABCD8E9 |
-110.91 |
1.35 |
-9.0 |
-0.65 |
0 |
|
|
71578 |
48415067 |
1 |
ON4C13H16 |
AB4C13D16 |
64.43 |
3.51 |
-9.18 |
-1.19 |
0 |
|
|
71579 |
48415068 |
2 |
NOC8H10 |
ABC8D10 |
-4.46 |
3.73 |
-8.88 |
-0.31 |
0 |
|
|
71580 |
48415071 |
2 |
NO2C9H12 |
AB2C9D12 |
-77.39 |
3.35 |
-8.82 |
-0.26 |
0 |
|
|
71581 |
48415072 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-84.31 |
3.37 |
-8.6 |
0.26 |
0 |
|
|
71582 |
48415073 |
2 |
NOC11H11 |
ABC11D11 |
25.31 |
3.39 |
-8.74 |
-0.16 |
0 |
|
|
71583 |
48415074 |
1 |
BrN2O2C13H15 |
AB2C2D13E15 |
17.86 |
2.81 |
-9.07 |
-0.92 |
0 |
|
|
71584 |
48415075 |
1 |
ON2C13H20 |
AB2C13D20 |
8.25 |
3.17 |
-8.83 |
0.92 |
0 |
|
|
71585 |
48415076 |
1 |
ON2C14H22 |
AB2C14D22 |
-7.83 |
3.26 |
-8.82 |
0.93 |
0 |
|
|
71586 |
48415077 |
1 |
ON2C16H20 |
AB2C16D20 |
25.59 |
3.51 |
-8.83 |
-0.11 |
0 |
|
|
71587 |
48415080 |
1 |
ClN3O3C15H16 |
AB3C3D15E16 |
25.78 |
4.27 |
-9.2 |
-1.94 |
0 |
|
|
71588 |
48415081 |
1 |
OCl2N2C15H16 |
AB2C2D15E16 |
21.13 |
4.12 |
-8.94 |
-0.81 |
0 |
|
|
71589 |
48415082 |
1 |
OCl2N2C15H16 |
AB2C2D15E16 |
18.87 |
3.45 |
-8.98 |
-0.87 |
0 |
|
|
71590 |
48415083 |
1 |
OCl2N2C15H16 |
AB2C2D15E16 |
17.73 |
3.02 |
-9.05 |
-0.91 |
0 |
|
|
71591 |
48415084 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-39.84 |
1.82 |
-8.86 |
-0.38 |
0 |
|
|
71592 |
48415085 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-46.35 |
5.51 |
-8.67 |
-0.05 |
0 |
|
|
71593 |
48415086 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-47.44 |
3.62 |
-8.83 |
-0.17 |
0 |
|
|
71594 |
48415087 |
1 |
ON3C17H23 |
AB3C17D23 |
35.89 |
5.53 |
-8.42 |
0.02 |
0 |
|
|
71595 |
48415088 |
1 |
BrON2C15H17 |
ABC2D15E17 |
37.95 |
3.86 |
-8.92 |
-0.63 |
0 |
|
|
71596 |
48415089 |
1 |
ON3C14H17 |
AB3C14D17 |
48.64 |
3.98 |
-8.94 |
-0.65 |
0 |
|
|
71597 |
48415090 |
1 |
ON3H23C24 |
AB3C23D24 |
89.93 |
3.75 |
-8.9 |
-1.05 |
0 |
|
|
71598 |
48415091 |
1 |
ON2C20H22 |
AB2C20D22 |
44.0 |
3.27 |
-8.81 |
-0.68 |
0 |
|
|
71599 |
48415092 |
1 |
BrON2C15H17 |
ABC2D15E17 |
38.27 |
2.98 |
-8.98 |
-0.68 |
0 |
|
|
71600 |
48415093 |
1 |
ON3C14H17 |
AB3C14D17 |
47.18 |
3.14 |
-9.04 |
-0.6 |
0 |
|
|
71601 |
48415094 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-1.21 |
8.09 |
-9.24 |
-1.08 |
0 |
|
|
71602 |
48415095 |
1 |
ON3C19H23 |
AB3C19D23 |
42.6 |
2.3 |
-8.25 |
0.19 |
0 |
|
|
71603 |
48415097 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-92.63 |
2.84 |
-9.1 |
-1.09 |
0 |
|
|
71604 |
48415098 |
1 |
O2N4H22C23 |
A2B4C22D23 |
59.35 |
3.13 |
-8.95 |
-1.13 |
0 |
|
|
71605 |
48415099 |
1 |
N3O3C24H25 |
A3B3C24D25 |
-38.85 |
5.89 |
-8.72 |
-1.66 |
0 |
|
|
71606 |
48415101 |
2 |
NOC9H12 |
ABC9D12 |
-16.25 |
1.79 |
-8.86 |
0.26 |
0 |
|
|
71607 |
48415103 |
1 |
OSN3C16H17 |
ABC3D16E17 |
64.71 |
3.25 |
-8.97 |
-1.18 |
0 |
|
|
71608 |
48415104 |
2 |
ON2C12H12 |
AB2C12D12 |
55.48 |
3.68 |
-9.05 |
-0.94 |
0 |
|
|
71609 |
48415107 |
1 |
ClO2N3C21H26 |
AB2C3D21E26 |
-25.3 |
7.07 |
-9.07 |
-0.22 |
0 |
|
|
71610 |
48415108 |
1 |
FO2N3C20H26 |
AB2C3D20E26 |
-71.09 |
2.8 |
-8.78 |
-0.84 |
0 |
|
|
71611 |
48415110 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-66.17 |
3.13 |
-8.92 |
-0.22 |
0 |
|
|
71612 |
48415111 |
1 |
FON2C15H17 |
ABC2D15E17 |
-8.68 |
3.69 |
-8.97 |
-0.5 |
0 |
|
|
71613 |
48415112 |
1 |
ON2C13H22 |
AB2C13D22 |
-13.4 |
3.34 |
-8.83 |
0.94 |
0 |
|
|
71614 |
48415113 |
1 |
ClON2C15H17 |
ABC2D15E17 |
26.12 |
2.86 |
-8.97 |
-0.62 |
0 |
|
|
71615 |
48415114 |
1 |
ON3C14H17 |
AB3C14D17 |
50.21 |
2.67 |
-9.1 |
-0.72 |
0 |
|
|
71616 |
48415115 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-4.13 |
4.41 |
-8.81 |
-0.35 |
0 |
|
|
71617 |
48415116 |
2 |
NOC8H10 |
ABC8D10 |
-2.04 |
4.24 |
-8.76 |
-0.2 |
0 |
|
|
71618 |
48415117 |
1 |
N2O2C19H20 |
A2B2C19D20 |
9.14 |
4.36 |
-8.89 |
-0.9 |
0 |
|
|
71619 |
48415118 |
1 |
ON3C18H19 |
AB3C18D19 |
64.3 |
4.47 |
-8.81 |
-1.01 |
0 |
|
|
71620 |
48415119 |
1 |
ON2C19H26 |
AB2C19D26 |
14.56 |
4.56 |
-8.8 |
-0.12 |
0 |
|
|
71621 |
48415121 |
1 |
N3O3C15H17 |
A3B3C15D17 |
32.22 |
4.85 |
-9.19 |
-1.71 |
0 |
|
|
71622 |
48415122 |
1 |
OSN2C14H18 |
ABC2D14E18 |
30.48 |
3.89 |
-8.81 |
-0.54 |
0 |
|
|
71623 |
48415123 |
1 |
OSN2C14H18 |
ABC2D14E18 |
29.52 |
4.09 |
-8.79 |
-0.58 |
0 |
|
|
71624 |
48415124 |
1 |
N2O2C21H22 |
A2B2C21D22 |
26.97 |
4.06 |
-8.84 |
-0.4 |
0 |
|
|
71625 |
48415128 |
1 |
ClN3O3C15H16 |
AB3C3D15E16 |
27.8 |
4.93 |
-9.18 |
-1.81 |
0 |
|
|
71626 |
48415129 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-96.34 |
3.83 |
-8.75 |
-0.3 |
0 |
|
|
71627 |
48415131 |
1 |
Cl2N2O2C17H20 |
A2B2C2D17E20 |
-27.0 |
1.75 |
-8.97 |
-0.61 |
0 |
|
|
71628 |
48415132 |
1 |
OCl2N2C15H16 |
AB2C2D15E16 |
17.63 |
3.22 |
-8.96 |
-0.9 |
0 |
|
|
71629 |
48415134 |
1 |
OCl2N2C15H16 |
AB2C2D15E16 |
24.11 |
3.95 |
-9.13 |
-0.9 |
0 |
|
|
71630 |
48415135 |
1 |
ON2C19H28 |
AB2C19D28 |
-19.21 |
3.5 |
-8.74 |
0.96 |
0 |
|
|
71631 |
48415137 |
1 |
ON2C13H22 |
AB2C13D22 |
-15.06 |
3.42 |
-8.82 |
1.0 |
0 |
|
|
71632 |
48415138 |
1 |
SN2O4C20H22 |
AB2C4D20E22 |
-45.28 |
8.43 |
-8.9 |
-0.93 |
0 |
|
|
71633 |
48415139 |
1 |
SN3O4C20H29 |
AB3C4D20E29 |
-97.66 |
8.74 |
-8.88 |
-0.7 |
0 |
|
|
71634 |
48415140 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-66.75 |
2.02 |
-8.94 |
-0.65 |
0 |
|
|
71635 |
48415141 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-45.65 |
3.53 |
-8.56 |
-0.11 |
0 |
|
|
71636 |
48415142 |
2 |
ON2C9H10 |
AB2C9D10 |
18.67 |
1.03 |
-8.97 |
-1.2 |
0 |
|
|
71637 |
48415143 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-28.64 |
4.89 |
-8.99 |
0.67 |
0 |
|
|
71638 |
48415144 |
1 |
O2N3C19H23 |
A2B3C19D23 |
6.97 |
5.34 |
-8.77 |
-0.4 |
0 |
|
|
71639 |
48415145 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-82.68 |
8.83 |
-8.89 |
-0.73 |
0 |
|
|
71640 |
48415146 |
1 |
SN4O4C19H28 |
AB4C4D19E28 |
-104.16 |
4.4 |
-9.11 |
-0.83 |
0 |
|
|
71641 |
48415147 |
1 |
ON2C15H22 |
AB2C15D22 |
10.84 |
3.09 |
-8.79 |
0.96 |
0 |
|
|
71642 |
48415148 |
1 |
N3O5C18H21 |
A3B5C18D21 |
-58.65 |
4.9 |
-9.19 |
-1.84 |
0 |
|
|
71643 |
48415149 |
1 |
O3N6C17H22 |
A3B6C17D22 |
-34.05 |
3.27 |
-8.78 |
-0.65 |
0 |
|
|
71644 |
48415150 |
1 |
FN2O2C17H21 |
AB2C2D17E21 |
-57.17 |
2.89 |
-8.98 |
-0.28 |
0 |
|
|
71645 |
48415151 |
1 |
ON2C20H22 |
AB2C20D22 |
48.21 |
3.55 |
-8.76 |
-0.34 |
0 |
|
|
71646 |
48415152 |
1 |
OSN4C23H24 |
ABC4D23E24 |
113.99 |
3.8 |
-8.74 |
-0.55 |
0 |
|
|
71647 |
48415153 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-59.6 |
1.52 |
-9.03 |
-0.92 |
0 |
|
|
71648 |
48415155 |
1 |
FOSN2C17H17 |
ABCD2E17F17 |
5.97 |
3.31 |
-8.9 |
-1.1 |
0 |
|
|
71649 |
48415156 |
1 |
ON5C18H21 |
AB5C18D21 |
95.82 |
3.75 |
-8.88 |
-0.93 |
0 |
|
|
71650 |
48415157 |
1 |
N2O2C21H24 |
A2B2C21D24 |
16.33 |
3.29 |
-8.8 |
-0.43 |
0 |
|
|
71651 |
48415158 |
1 |
ClO2N3C19H22 |
AB2C3D19E22 |
-14.19 |
2.71 |
-9.08 |
-0.47 |
0 |