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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76052 |
48424361 |
1 |
ClNO3C17H24 |
ABC3D17E24 |
-105.0 |
2.98 |
-9.06 |
-0.3 |
0 |
|
|
76053 |
48424363 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-179.18 |
7.32 |
-8.52 |
-0.16 |
0 |
|
|
76054 |
48424364 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-172.14 |
1.16 |
-9.28 |
-0.2 |
0 |
|
|
76055 |
48424365 |
1 |
BrNO2C17H22 |
ABC2D17E22 |
-57.02 |
4.61 |
-9.31 |
-0.1 |
0 |
|
|
76056 |
48424366 |
1 |
FNO2C17H22 |
ABC2D17E22 |
-104.91 |
3.63 |
-9.38 |
0.04 |
0 |
|
|
76057 |
48424367 |
1 |
BrFNO2C15H19 |
ABCD2E15F19 |
-105.5 |
5.4 |
-9.57 |
-0.42 |
0 |
|
|
76058 |
48424368 |
1 |
ClNO3C17H24 |
ABC3D17E24 |
-102.77 |
4.09 |
-9.31 |
-0.24 |
0 |
|
|
76059 |
48424369 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-200.24 |
2.65 |
-9.43 |
0.15 |
0 |
|
|
76060 |
48424370 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-156.59 |
3.92 |
-8.6 |
0.0 |
0 |
|
|
76061 |
48424371 |
1 |
SN3O5C20H25 |
AB3C5D20E25 |
-181.26 |
4.45 |
-8.6 |
-0.19 |
0 |
|
|
76062 |
48424373 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-137.9 |
2.93 |
-9.24 |
-0.18 |
0 |
|
|
76063 |
48424375 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-15.55 |
7.1 |
-9.09 |
-0.75 |
0 |
|
|
76064 |
48424376 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-227.0 |
4.89 |
-9.86 |
-0.21 |
0 |
|
|
76065 |
48424378 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-138.3 |
1.14 |
-8.44 |
-0.02 |
0 |
|
|
76066 |
48424380 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-8.36 |
8.41 |
-8.91 |
-0.71 |
0 |
|
|
76067 |
48424381 |
1 |
NO4C15H25 |
AB4C15D25 |
-183.35 |
4.37 |
-9.78 |
0.74 |
0 |
|
|
76068 |
48424383 |
1 |
NO4C16H27 |
AB4C16D27 |
-191.69 |
4.17 |
-9.76 |
0.71 |
0 |
|
|
76069 |
48424384 |
1 |
NO4C16H27 |
AB4C16D27 |
-187.83 |
2.81 |
-9.77 |
0.8 |
0 |
|
|
76070 |
48424385 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-103.72 |
2.19 |
-9.13 |
0.03 |
0 |
|
|
76071 |
48424386 |
1 |
NO2C16H23 |
AB2C16D23 |
-65.03 |
4.92 |
-9.29 |
-0.11 |
0 |
|
|
76072 |
48424387 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-105.21 |
3.73 |
-9.33 |
-0.09 |
0 |
|
|
76073 |
48424388 |
1 |
NO2C16H23 |
AB2C16D23 |
-69.2 |
2.19 |
-8.66 |
0.28 |
0 |
|
|
76074 |
48424393 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-91.29 |
3.59 |
-8.57 |
0.2 |
0 |
|
|
76075 |
48424394 |
1 |
F3N3O4C16H20 |
A3B3C4D16E20 |
-329.2 |
4.71 |
-9.96 |
-0.28 |
0 |
|
|
76076 |
48424395 |
1 |
N2F3O3C12H19 |
A2B3C3D12E19 |
-297.21 |
6.18 |
-10.15 |
0.33 |
0 |
|
|
76077 |
48424396 |
2 |
NO2C12H14 |
AB2C12D14 |
-141.44 |
5.86 |
-9.31 |
-0.47 |
0 |
|
|
76078 |
48424398 |
1 |
SN3O5C17H27 |
AB3C5D17E27 |
-213.67 |
7.92 |
-9.62 |
0.0 |
0 |
|
|
76079 |
48424399 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-170.59 |
2.33 |
-9.57 |
0.16 |
0 |
|
|
76080 |
48424401 |
1 |
NO3C18H25 |
AB3C18D25 |
-78.88 |
4.94 |
-8.82 |
0.13 |
0 |
|
|
76081 |
48424402 |
1 |
N2O3C20H34 |
A2B3C20D34 |
-145.61 |
5.67 |
-9.26 |
0.6 |
0 |
|
|
76082 |
48424403 |
1 |
N2O2C19H34 |
A2B2C19D34 |
-101.76 |
2.76 |
-8.55 |
0.77 |
0 |
|
|
76083 |
48424404 |
1 |
NO3C13H23 |
AB3C13D23 |
-136.32 |
2.52 |
-9.7 |
0.94 |
0 |
|
|
76084 |
48424405 |
1 |
NO3C20H27 |
AB3C20D27 |
-105.23 |
4.68 |
-9.21 |
-0.57 |
0 |
|
|
76085 |
48424406 |
1 |
N3O3C23H35 |
A3B3C23D35 |
-135.99 |
2.63 |
-8.58 |
0.19 |
0 |
|
|
76086 |
48424408 |
1 |
SN2O4C13H26 |
AB2C4D13E26 |
-180.06 |
6.18 |
-9.33 |
0.27 |
0 |
|
|
76087 |
48424409 |
1 |
NCl2O3C19H23 |
AB2C3D19E23 |
-105.64 |
2.7 |
-9.43 |
-1.19 |
0 |
|
|
76088 |
48424410 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-116.48 |
3.65 |
-8.49 |
0.13 |
0 |
|
|
76089 |
48424412 |
1 |
NO3C11H21 |
AB3C11D21 |
-121.89 |
2.22 |
-9.26 |
0.91 |
0 |
|
|
76090 |
48424413 |
1 |
BrN2O3C16H21 |
AB2C3D16E21 |
-106.64 |
9.36 |
-8.66 |
-0.04 |
0 |
|
|
76091 |
48424414 |
1 |
NO3C16H23 |
AB3C16D23 |
-102.58 |
2.98 |
-8.76 |
0.24 |
0 |
|
|
76092 |
48424417 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-133.07 |
2.8 |
-8.8 |
0.23 |
0 |
|
|
76093 |
48424418 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-97.57 |
3.52 |
-8.68 |
1.24 |
0 |
|
|
76094 |
48424419 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-85.5 |
6.21 |
-9.37 |
-0.5 |
0 |
|
|
76095 |
48424420 |
1 |
NO4C14H27 |
AB4C14D27 |
-168.13 |
3.23 |
-9.17 |
0.91 |
0 |
|
|
76096 |
48424422 |
2 |
NOC9H14 |
ABC9D14 |
-63.14 |
2.33 |
-8.74 |
0.29 |
0 |
|
|
76097 |
48424423 |
2 |
NOC9H10 |
ABC9D10 |
-23.0 |
1.74 |
-8.97 |
-0.47 |
0 |
|
|
76098 |
48424425 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-228.99 |
3.59 |
-9.34 |
0.37 |
0 |
|
|
76099 |
48424429 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-104.4 |
4.84 |
-8.91 |
-0.04 |
0 |
|
|
76100 |
48424430 |
1 |
NF3O3C19H26 |
AB3C3D19E26 |
-266.92 |
3.57 |
-9.27 |
-0.12 |
0 |
|
|
76101 |
48424431 |
2 |
NO2C10H12 |
AB2C10D12 |
-137.52 |
1.6 |
-8.83 |
-0.05 |
0 |
|
|
76102 |
48424432 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-147.63 |
4.69 |
-8.8 |
0.15 |
0 |
|
|
76103 |
48424433 |
1 |
NO4C15H19 |
AB4C15D19 |
-125.45 |
4.45 |
-8.65 |
-0.08 |
0 |
|
|
76104 |
48424435 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-136.79 |
2.89 |
-9.6 |
0.42 |
0 |
|
|
76105 |
48424436 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-65.43 |
7.15 |
-9.19 |
-0.74 |
0 |
|
|
76106 |
48424437 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-163.42 |
2.97 |
-9.56 |
0.18 |
0 |
|
|
76107 |
48424442 |
1 |
NO3C17H25 |
AB3C17D25 |
-113.71 |
2.99 |
-8.42 |
0.25 |
0 |
|
|
76108 |
48424443 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-137.05 |
1.88 |
-8.9 |
-0.1 |
0 |
|
|
76109 |
48424444 |
1 |
BrFN2O3C18H18 |
ABC2D3E18F18 |
-137.79 |
3.41 |
-9.73 |
-0.53 |
0 |
|
|
76110 |
48424445 |
1 |
FN2O2C17H25 |
AB2C2D17E25 |
-103.33 |
3.2 |
-8.3 |
0.16 |
0 |
|
|
76111 |
48424447 |
2 |
NOC8H15 |
ABC8D15 |
-90.1 |
5.51 |
-8.71 |
1.08 |
0 |
|
|
76112 |
48424450 |
2 |
NO2C10H14 |
AB2C10D14 |
-147.34 |
2.45 |
-8.21 |
0.04 |
0 |
|
|
76113 |
48424456 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-106.95 |
2.89 |
-9.18 |
-0.44 |
0 |
|
|
76114 |
48424458 |
1 |
N2O4C17H30 |
A2B4C17D30 |
-174.0 |
8.98 |
-9.23 |
0.86 |
0 |
|
|
76115 |
48424459 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-139.71 |
4.25 |
-9.54 |
-0.05 |
0 |
|
|
76116 |
48424462 |
1 |
NO2C18H25 |
AB2C18D25 |
-64.05 |
5.24 |
-9.2 |
0.06 |
0 |
|
|
76117 |
48424463 |
2 |
NO2C11H13 |
AB2C11D13 |
-139.25 |
2.87 |
-8.7 |
0.24 |
0 |
|
|
76118 |
48424464 |
1 |
NO3C18H25 |
AB3C18D25 |
-103.12 |
3.7 |
-8.65 |
0.28 |
0 |
|
|
76119 |
48424465 |
1 |
N2O5C20H28 |
A2B5C20D28 |
-165.45 |
8.82 |
-9.14 |
-0.19 |
0 |
|
|
76120 |
48424467 |
1 |
ClNO2C17H24 |
ABC2D17E24 |
-80.23 |
0.83 |
-9.44 |
-0.18 |
0 |
|
|
76121 |
48424468 |
2 |
NOC11H17 |
ABC11D17 |
-69.9 |
2.45 |
-8.65 |
0.21 |
0 |
|
|
76122 |
48424469 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-97.42 |
6.48 |
-8.71 |
-0.1 |
0 |
|
|
76123 |
48424471 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-142.63 |
3.04 |
-9.72 |
0.94 |
0 |
|
|
76124 |
48424472 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-92.67 |
2.19 |
-9.24 |
-0.57 |
0 |
|
|
76125 |
48424475 |
1 |
NO2C16H27 |
AB2C16D27 |
-97.24 |
4.62 |
-9.26 |
1.06 |
0 |
|
|
76126 |
48424477 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-95.81 |
4.46 |
-8.88 |
0.78 |
0 |
|
|
76127 |
48424478 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-96.16 |
3.51 |
-7.94 |
0.07 |
0 |
|
|
76128 |
48424480 |
1 |
NO2C13H21 |
AB2C13D21 |
-70.06 |
4.93 |
-9.31 |
0.95 |
0 |
|
|
76129 |
48424481 |
1 |
BrO2N3C15H18 |
AB2C3D15E18 |
-20.3 |
1.86 |
-9.34 |
-1.04 |
0 |
|
|
76130 |
48424482 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-96.24 |
3.09 |
-8.54 |
0.45 |
0 |
|
|
76131 |
48424483 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-92.87 |
4.34 |
-9.16 |
-0.16 |
0 |
|
|
76132 |
48424486 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-237.54 |
3.54 |
-9.49 |
0.14 |
0 |
|
|
76133 |
48424488 |
1 |
NO3C15H21 |
AB3C15D21 |
-102.36 |
2.05 |
-8.16 |
0.16 |
0 |
|
|
76134 |
48424489 |
3 |
NOC7H11 |
ABC7D11 |
-140.58 |
3.01 |
-8.76 |
0.04 |
0 |
|
|
76135 |
48424490 |
1 |
FNO2C17H22 |
ABC2D17E22 |
-81.28 |
2.9 |
-9.45 |
-0.17 |
0 |
|
|
76136 |
48424491 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-130.41 |
5.19 |
-9.24 |
0.07 |
0 |
|
|
76137 |
48424493 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-90.49 |
5.95 |
-9.19 |
0.05 |
0 |
|
|
76138 |
48424495 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-143.34 |
1.86 |
-8.67 |
0.06 |
0 |
|
|
76139 |
48424496 |
1 |
NO3C17H25 |
AB3C17D25 |
-108.49 |
4.57 |
-8.68 |
0.23 |
0 |
|
|
76140 |
48424497 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-92.75 |
3.87 |
-8.85 |
-0.01 |
0 |
|
|
76141 |
48424498 |
1 |
ClNO3C19H24 |
ABC3D19E24 |
-100.37 |
4.25 |
-9.35 |
-1.12 |
0 |
|
|
76142 |
48424499 |
1 |
NO3C14H25 |
AB3C14D25 |
-132.52 |
3.39 |
-9.32 |
0.85 |
0 |
|
|
76143 |
48424500 |
1 |
NO4C19H25 |
AB4C19D25 |
-115.19 |
3.76 |
-8.8 |
-0.06 |
0 |
|
|
76144 |
48424502 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-129.03 |
3.67 |
-8.75 |
0.21 |
0 |
|
|
76145 |
48424503 |
2 |
NOC8H15 |
ABC8D15 |
-92.28 |
3.43 |
-8.7 |
1.01 |
0 |
|
|
76146 |
48424504 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-145.99 |
1.54 |
-9.19 |
0.47 |
0 |
|
|
76147 |
48424505 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-33.72 |
3.35 |
-8.86 |
-0.56 |
0 |
|
|
76148 |
48424506 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-9.93 |
5.59 |
-9.03 |
-0.84 |
0 |
|
|
76149 |
48424507 |
2 |
NO2C9H13 |
AB2C9D13 |
-170.12 |
2.64 |
-9.35 |
0.31 |
0 |
|
|
76150 |
48424508 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-177.03 |
6.79 |
-9.56 |
-0.28 |
0 |
|
|
76151 |
48424511 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-139.4 |
4.12 |
-9.26 |
0.8 |
0 |