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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9980 |
95789 |
1 |
NO2C8H17 |
AB2C8D17 |
-123.25 |
2.52 |
-9.98 |
0.83 |
0 |
|
|
9981 |
95805 |
1 |
ON5C7H9 |
AB5C7D9 |
25.07 |
6.0 |
-8.76 |
-0.47 |
0 |
|
|
9982 |
95838 |
2 |
NH6C9 |
AB6C9 |
83.56 |
0.79 |
-7.89 |
-0.63 |
0 |
|
|
9983 |
95850 |
2 |
ClOSH4C6 |
ABCD4E6 |
-43.72 |
3.58 |
-9.56 |
-1.29 |
0 |
|
|
9984 |
95851 |
2 |
NOC4H7 |
ABC4D7 |
-100.49 |
0.03 |
-9.28 |
0.75 |
0 |
|
|
9985 |
95852 |
1 |
OH14C16 |
AB14C16 |
20.49 |
3.93 |
-9.22 |
-0.76 |
0 |
|
|
9986 |
95853 |
1 |
NO2C9H15 |
AB2C9D15 |
-123.37 |
4.7 |
-10.7 |
-0.03 |
0 |
|
|
9987 |
95857 |
1 |
NO2C11H19 |
AB2C11D19 |
-131.6 |
4.85 |
-10.69 |
-0.02 |
0 |
|
|
9988 |
95884 |
1 |
NO4H9C13 |
AB4C9D13 |
-29.32 |
3.98 |
-9.7 |
-2.04 |
0 |
|
|
9989 |
95945 |
2 |
NOC4H5 |
ABC4D5 |
0.93 |
6.47 |
-8.94 |
-1.08 |
0 |
|
|
9990 |
95947 |
1 |
C3N3O3H5 |
A3B3C3D5 |
-93.31 |
3.52 |
-10.57 |
-1.18 |
0 |
|
|
9991 |
95966 |
3 |
NOC7H9 |
ABC7D9 |
-31.22 |
1.98 |
-10.06 |
-1.05 |
0 |
|
|
9992 |
95968 |
2 |
NOC7H7 |
ABC7D7 |
-16.62 |
2.09 |
-9.58 |
-0.18 |
0 |
|
|
9993 |
95982 |
1 |
O2C13H24 |
A2B13C24 |
-126.66 |
2.8 |
-9.23 |
1.46 |
0 |
|
|
9994 |
95992 |
1 |
FO2H7C8 |
AB2C7D8 |
-114.97 |
2.13 |
-9.4 |
-1.1 |
0 |
|
|
9995 |
95998 |
1 |
NOC36H71 |
ABC36D71 |
-188.92 |
4.01 |
-9.44 |
1.24 |
0 |
|
|
9996 |
96028 |
1 |
NSH7C9 |
ABC7D9 |
48.91 |
3.22 |
-8.49 |
-0.94 |
0 |
|
|
9997 |
96029 |
1 |
O2N3H5C8 |
A2B3C5D8 |
62.21 |
5.09 |
-10.53 |
-2.05 |
0 |
|
|
9998 |
96030 |
1 |
O2N3H7C8 |
A2B3C7D8 |
-50.36 |
8.11 |
-8.55 |
-0.83 |
0 |
|
|
9999 |
96073 |
1 |
ClN2O3H9C13 |
AB2C3D9E13 |
-0.66 |
3.31 |
-9.19 |
-1.87 |
0 |
|
|
10000 |
96075 |
1 |
Cl2N3H5C6 |
A2B3C5D6 |
69.97 |
2.17 |
-10.41 |
-1.31 |
0 |
|
|
10001 |
96082 |
1 |
SC12H26 |
AB12C26 |
-64.83 |
1.99 |
-8.43 |
0.92 |
0 |
|
|
10002 |
96093 |
1 |
NOF2H7C8 |
ABC2D7E8 |
-120.07 |
3.43 |
-9.15 |
-0.44 |
0 |
|
|
10003 |
96095 |
1 |
FNOH10C13 |
ABCD10E13 |
-39.24 |
2.96 |
-8.96 |
-0.76 |
0 |
|
|
10004 |
96107 |
1 |
BrO2C10H11 |
AB2C10D11 |
-71.28 |
3.61 |
-9.33 |
-0.35 |
0 |
|
|
10005 |
96115 |
1 |
Cl2N2O2C13H14 |
A2B2C2D13E14 |
-67.26 |
4.07 |
-9.58 |
-1.56 |
0 |
|
|
10006 |
96133 |
1 |
ClO2H5C9 |
AB2C5D9 |
-44.59 |
5.34 |
-9.54 |
-1.42 |
0 |
|
|
10007 |
96147 |
1 |
O3N4C17H20 |
A3B4C17D20 |
21.03 |
10.66 |
-8.8 |
-1.39 |
0 |
|
|
10008 |
96149 |
2 |
ClNO2C7H8 |
ABC2D7E8 |
-124.88 |
3.38 |
-8.82 |
-1.62 |
0 |
|
|
10009 |
96150 |
3 |
NOC2H3 |
ABC2D3 |
6.76 |
5.6 |
-9.15 |
-1.3 |
0 |
|
|
10010 |
96163 |
2 |
C2H2N3 |
A2B2C3 |
123.66 |
5.51 |
-9.19 |
-1.73 |
0 |
|
|
10011 |
96167 |
1 |
NCl2C8H17 |
AB2C8D17 |
-48.98 |
4.16 |
-8.99 |
0.81 |
0 |
|
|
10012 |
96225 |
1 |
O3C14H14 |
A3B14C14 |
-82.79 |
7.33 |
-9.11 |
-0.83 |
0 |
|
|
10013 |
96240 |
2 |
ClSH2O2C3 |
ABC2D2E3 |
-139.97 |
5.67 |
-11.63 |
-2.09 |
0 |
|
|
10014 |
96242 |
1 |
SO3N5C9H13 |
AB3C5D9E13 |
-26.25 |
5.99 |
-10.05 |
-1.95 |
0 |
|
|
10015 |
96243 |
1 |
SO2N5C9H13 |
AB2C5D9E13 |
4.25 |
4.37 |
-10.22 |
-1.99 |
0 |
|
|
10016 |
96258 |
1 |
Cl2N2O2C9H14 |
A2B2C2D9E14 |
-115.12 |
3.36 |
-9.56 |
-0.24 |
0 |
|
|
10017 |
96357 |
1 |
NO2C9H13 |
AB2C9D13 |
-80.12 |
5.67 |
-11.13 |
0.35 |
0 |
|
|
10018 |
96387 |
1 |
NOC11H15 |
ABC11D15 |
-34.06 |
1.47 |
-9.32 |
0.24 |
0 |
|
|
10019 |
96398 |
1 |
OC12H14 |
AB12C14 |
-13.36 |
3.58 |
-9.37 |
-0.31 |
0 |
|
|
10020 |
96420 |
1 |
ON3C8H11 |
AB3C8D11 |
-11.9 |
5.91 |
-8.78 |
-0.36 |
0 |
|
|
10021 |
96446 |
1 |
NCl2O2C15H21 |
AB2C2D15E21 |
-106.34 |
4.54 |
-9.01 |
0.03 |
0 |
|
|
10022 |
96470 |
2 |
OC7H7 |
AB7C7 |
-44.66 |
1.19 |
-10.22 |
-1.69 |
0 |
|
|
10023 |
96474 |
1 |
ON3C7H15 |
AB3C7D15 |
-49.56 |
4.82 |
-9.12 |
1.14 |
0 |
|
|
10024 |
96478 |
1 |
ClOC11H15 |
ABC11D15 |
-51.61 |
1.43 |
-8.83 |
0.39 |
0 |
|
|
10025 |
96480 |
1 |
ON2C11H16 |
AB2C11D16 |
-27.15 |
2.2 |
-8.93 |
-0.05 |
0 |
|
|
10026 |
96483 |
1 |
NOC23H41 |
ABC23D41 |
-94.01 |
0.48 |
-9.22 |
-0.03 |
0 |
|
|
10027 |
96485 |
1 |
O2N3C4H7 |
A2B3C4D7 |
-31.67 |
6.74 |
-9.89 |
-0.42 |
0 |
|
|
10028 |
96503 |
1 |
N5O7C16H19 |
A5B7C16D19 |
-245.16 |
4.03 |
-9.12 |
-0.55 |
0 |
|
|
10029 |
96525 |
1 |
OSCl2N2C4H8 |
ABC2D2E4F8 |
-4.56 |
3.33 |
-8.76 |
-0.94 |
0 |
|
|
10030 |
96530 |
1 |
SN4C10H14 |
AB4C10D14 |
53.71 |
3.01 |
-8.66 |
-0.8 |
0 |
|
|
10031 |
96531 |
1 |
IO2N4C7H7 |
AB2C4D7E7 |
-20.29 |
2.96 |
-9.36 |
-2.16 |
0 |
|
|
10032 |
96532 |
1 |
O2C13H16 |
A2B13C16 |
-40.87 |
0.95 |
-8.34 |
0.04 |
0 |
|
|
10033 |
96533 |
2 |
O2H5C7 |
A2B5C7 |
-117.08 |
4.61 |
-10.12 |
-1.15 |
0 |
|
|
10034 |
96536 |
1 |
PO3C11H11 |
AB3C11D11 |
-152.83 |
1.59 |
-8.86 |
-0.52 |
0 |
|
|
10035 |
96537 |
2 |
ON3C12H13 |
AB3C12D13 |
60.28 |
2.87 |
-8.9 |
-0.89 |
0 |
|
|
10036 |
96539 |
1 |
O7H18C19 |
A7B18C19 |
-205.17 |
4.03 |
-8.7 |
-1.02 |
0 |
|
|
10037 |
96540 |
2 |
CH3N3 |
AB3C3 |
80.28 |
4.19 |
-9.35 |
-0.04 |
0 |
|
|
10038 |
96542 |
1 |
NOSC5H9 |
ABCD5E9 |
-38.02 |
2.19 |
-9.32 |
-0.38 |
0 |
|
|
10039 |
96549 |
1 |
FCl2N2C19H21 |
AB2C2D19E21 |
-18.87 |
4.66 |
-8.47 |
-0.25 |
0 |
|
|
10040 |
96554 |
1 |
ON2C13H22 |
AB2C13D22 |
-81.38 |
3.67 |
-9.37 |
1.21 |
0 |
|
|
10041 |
96557 |
1 |
ClON2C13H13 |
ABC2D13E13 |
-16.74 |
1.85 |
-8.53 |
-0.54 |
0 |
|
|
10042 |
96559 |
1 |
FC9H11 |
AB9C11 |
-43.36 |
2.28 |
-9.41 |
0.06 |
0 |
|
|
10043 |
96571 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-72.67 |
2.15 |
-9.56 |
-0.33 |
0 |
|
|
10044 |
96573 |
1 |
ON3C8H17 |
AB3C8D17 |
-55.66 |
5.03 |
-9.11 |
1.15 |
0 |
|
|
10045 |
96574 |
1 |
O2C11H14 |
A2B11C14 |
-86.54 |
1.69 |
-9.29 |
0.29 |
0 |
|
|
10046 |
96575 |
1 |
BrNH14C16 |
ABC14D16 |
73.9 |
3.61 |
-9.82 |
-0.34 |
0 |
|
|
10047 |
96576 |
1 |
NO2C19H21 |
AB2C19D21 |
-41.04 |
3.57 |
-8.91 |
-0.21 |
0 |
|
|
10048 |
96577 |
1 |
SnO2C20H44 |
AB2C20D44 |
-163.16 |
4.18 |
-9.72 |
0.86 |
0 |
|
|
10049 |
96579 |
1 |
BrClFN2C17H17 |
ABCD2E17F17 |
12.0 |
2.42 |
-8.55 |
-0.66 |
0 |
|
|
10050 |
96580 |
4 |
HOC2 |
ABC2 |
-124.16 |
5.68 |
-10.38 |
-1.9 |
0 |
|
|
10051 |
96581 |
1 |
OSN4C13H18 |
ABC4D13E18 |
13.14 |
1.95 |
-9.39 |
-0.88 |
0 |
|
|
10052 |
96582 |
1 |
NCl2O2H3C9 |
AB2C2D3E9 |
-15.33 |
3.49 |
-10.25 |
-2.37 |
0 |
|
|
10053 |
96583 |
1 |
ClN2O2H5C9 |
AB2C2D5E9 |
-16.35 |
5.16 |
-9.2 |
-2.06 |
0 |
|
|
10054 |
96584 |
2 |
ClO2N3C6H10 |
AB2C3D6E10 |
-109.51 |
6.1 |
-10.16 |
-1.19 |
0 |
|
|
10055 |
96585 |
2 |
ClO2N3C6H7 |
AB2C3D6E7 |
-60.13 |
3.18 |
-9.04 |
-1.16 |
0 |
|
|
10056 |
96589 |
1 |
NOSH7C8 |
ABCD7E8 |
12.67 |
3.06 |
-9.17 |
-0.61 |
0 |
|
|
10057 |
96599 |
1 |
NO2S2C7H13 |
AB2C2D7E13 |
-71.88 |
3.34 |
-8.81 |
-0.59 |
0 |
|
|
10058 |
96600 |
5 |
CHN |
ABC |
82.6 |
4.49 |
-9.26 |
-0.83 |
0 |
|
|
10059 |
96601 |
1 |
NO2Cl3C13H18 |
AB2C3D13E18 |
-124.75 |
3.39 |
-9.08 |
-0.42 |
0 |
|
|
10060 |
96605 |
1 |
SO2N4C17H28 |
AB2C4D17E28 |
-92.14 |
4.74 |
-8.9 |
-0.66 |
0 |
|
|
10061 |
96608 |
1 |
SO2N4C15H24 |
AB2C4D15E24 |
-88.02 |
5.77 |
-8.83 |
-0.62 |
0 |
|
|
10062 |
96619 |
1 |
O2N3H11C13 |
A2B3C11D13 |
25.69 |
0.39 |
-9.15 |
-1.0 |
0 |
|
|
10063 |
96626 |
1 |
OC13H20 |
AB13C20 |
-66.75 |
1.6 |
-8.45 |
0.41 |
0 |
|
|
10064 |
96628 |
1 |
ClH11C15 |
AB11C15 |
41.08 |
1.99 |
-8.85 |
-0.77 |
0 |
|
|
10065 |
96630 |
1 |
PH2Cl3O3C4N4 |
AB2C3D3E4F4 |
-82.96 |
3.85 |
-11.03 |
-2.21 |
0 |
|
|
10066 |
96632 |
1 |
PO4C8H15 |
AB4C8D15 |
-205.32 |
2.06 |
-9.51 |
-0.35 |
0 |
|
|
10067 |
96643 |
1 |
NO2C7H15 |
AB2C7D15 |
-102.8 |
1.59 |
-8.87 |
0.84 |
0 |
|
|
10068 |
96647 |
1 |
NO8C12H15 |
AB8C12D15 |
-250.68 |
6.09 |
-10.26 |
-1.59 |
0 |
|
|
10069 |
96702 |
2 |
NO2C10H11 |
AB2C10D11 |
-76.38 |
2.1 |
-8.67 |
-0.03 |
0 |
|
|
10070 |
96715 |
1 |
ClBr2H5C7 |
AB2C5D7 |
16.57 |
2.53 |
-9.83 |
-1.25 |
0 |
|
|
10071 |
96746 |
1 |
NH3F6C9 |
AB3C6D9 |
-265.44 |
0.51 |
-11.3 |
-1.8 |
0 |
|
|
10072 |
96771 |
1 |
N3O5C13H15 |
A3B5C13D15 |
-193.42 |
9.27 |
-10.23 |
-0.89 |
0 |
|
|
10073 |
96777 |
1 |
O5N6C16H16 |
A5B6C16D16 |
-106.39 |
3.35 |
-9.15 |
-1.2 |
0 |
|
|
10074 |
96785 |
1 |
ON3C14H25 |
AB3C14D25 |
-36.94 |
6.09 |
-8.18 |
0.44 |
0 |
|
|
10075 |
96821 |
2 |
NO2C3H6 |
AB2C3D6 |
-184.64 |
4.11 |
-10.14 |
-0.01 |
0 |
|
|
10076 |
96826 |
1 |
OC7H12 |
AB7C12 |
-63.75 |
3.11 |
-9.69 |
0.78 |
0 |
|
|
10077 |
96827 |
1 |
SN2O4C8H12 |
AB2C4D8E12 |
-134.96 |
7.23 |
-8.52 |
-0.31 |
0 |
|
|
10078 |
96829 |
1 |
NOCl2H9C12 |
ABC2D9E12 |
-2.43 |
2.92 |
-8.83 |
-0.47 |
0 |
|
|
10079 |
96842 |
1 |
FON2H9C14 |
ABC2D9E14 |
17.17 |
3.66 |
-9.35 |
-1.25 |
0 |