List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
506 |
2894 |
1 |
O4N5C23H27 |
A4B5C23D27 |
-69.97 |
2.69 |
-8.26 |
-0.53 |
0 |
|
|
507 |
2895 |
1 |
NC20H21 |
AB20C21 |
68.77 |
1.62 |
-8.66 |
-0.27 |
0 |
|
|
508 |
2899 |
1 |
NC7H15 |
AB7C15 |
-25.37 |
1.95 |
-9.26 |
3.53 |
0 |
|
|
509 |
2901 |
1 |
NO2C6H11 |
AB2C6D11 |
-102.03 |
5.31 |
-10.28 |
0.71 |
0 |
|
|
510 |
2903 |
1 |
NC8H17 |
AB8C17 |
-27.88 |
1.91 |
-9.29 |
3.43 |
0 |
|
|
511 |
2905 |
1 |
NO3C17H25 |
AB3C17D25 |
-132.19 |
2.55 |
-8.91 |
0.07 |
0 |
|
|
512 |
2906 |
1 |
NC5H11 |
AB5C11 |
-17.43 |
1.87 |
-9.33 |
3.42 |
0 |
|
|
513 |
2909 |
1 |
N11O12C62H111 |
A11B12C62D111 |
-663.35 |
7.38 |
-9.34 |
-0.12 |
0 |
|
|
514 |
2910 |
1 |
ClS2N3O4C14H16 |
AB2C3D4E14F16 |
-104.94 |
8.19 |
-9.79 |
-0.96 |
0 |
|
|
515 |
2912 |
1 |
NCl2O3H19C22 |
AB2C3D19E22 |
-33.94 |
2.86 |
-9.18 |
-0.68 |
0 |
|
|
516 |
2913 |
1 |
NC21H21 |
AB21C21 |
63.08 |
1.14 |
-8.54 |
-0.22 |
0 |
|
|
517 |
2916 |
1 |
NPSC2O3H8 |
ABCD2E3F8 |
-218.9 |
4.93 |
-9.41 |
-0.02 |
0 |
|
|
518 |
2917 |
1 |
PN3O15C17H26 |
AB3C15D17E26 |
-701.97 |
1.92 |
-9.81 |
-0.61 |
0 |
|
|
519 |
2920 |
1 |
NO7C28H33 |
AB7C28D33 |
-222.17 |
5.81 |
-9.59 |
-0.72 |
0 |
|
|
520 |
2922 |
1 |
NO7C30H37 |
AB7C30D37 |
-202.11 |
4.11 |
-9.59 |
-0.01 |
0 |
|
|
521 |
2923 |
1 |
NO7C30H39 |
AB7C30D39 |
-290.25 |
4.45 |
-9.45 |
0.02 |
0 |
|
|
522 |
2924 |
1 |
NO5C31H43 |
AB5C31D43 |
-224.16 |
3.46 |
-9.33 |
0.14 |
0 |
|
|
523 |
2925 |
1 |
NO6C30H37 |
AB6C30D37 |
-203.23 |
5.56 |
-9.46 |
0.16 |
0 |
|
|
524 |
2926 |
1 |
NO6C30H37 |
AB6C30D37 |
-229.35 |
9.54 |
-9.64 |
-0.1 |
0 |
|
|
525 |
2927 |
1 |
NPO5C6H14 |
ABC5D6E14 |
-296.41 |
1.98 |
-9.89 |
0.3 |
0 |
|
|
526 |
2929 |
1 |
ClO2N3H16C22 |
AB2C3D16E22 |
19.19 |
5.69 |
-9.09 |
-1.15 |
0 |
|
|
527 |
2930 |
2 |
NO2C5H6 |
AB2C5D6 |
-120.57 |
5.59 |
-9.96 |
-0.37 |
0 |
|
|
528 |
2931 |
1 |
PN3O7C11H16 |
AB3C7D11E16 |
-297.68 |
8.2 |
-8.84 |
-0.32 |
0 |
|
|
529 |
2932 |
1 |
O4N5C15H23 |
A4B5C15D23 |
-149.9 |
5.39 |
-8.91 |
0.1 |
0 |
|
|
530 |
2935 |
1 |
SN2C6O6H12 |
AB2C6D6E12 |
-264.25 |
6.81 |
-10.2 |
-0.69 |
0 |
|
|
531 |
2936 |
2 |
PC3O6H7 |
AB3C6D7 |
-662.13 |
7.91 |
-10.7 |
-0.12 |
0 |
|
|
532 |
2937 |
2 |
O2C10H15 |
A2B10C15 |
-174.46 |
5.56 |
-10.05 |
-0.47 |
0 |
|
|
533 |
2940 |
1 |
OS2C11H15 |
AB2C11D15 |
-3.27 |
4.31 |
0.0 |
0.0 |
-1 |
|
|
534 |
2941 |
1 |
OS2C11H16 |
AB2C11D16 |
-33.48 |
4.03 |
-9.11 |
-0.76 |
0 |
|
|
535 |
2945 |
1 |
O4H10C15 |
A4B10C15 |
-83.98 |
7.44 |
-9.02 |
-1.48 |
0 |
|
|
536 |
2949 |
1 |
NO2C22H27 |
AB2C22D27 |
4.46 |
5.01 |
-8.94 |
-0.24 |
0 |
|
|
537 |
2950 |
2 |
O2H4C7 |
A2B4C7 |
-101.63 |
2.96 |
-9.41 |
-1.81 |
0 |
|
|
538 |
2951 |
1 |
N4O5H9C14 |
A4B5C9D14 |
17.12 |
6.93 |
0.0 |
0.0 |
-1 |
|
|
539 |
2952 |
1 |
N4O5H10C14 |
A4B5C10D14 |
-29.3 |
5.44 |
-9.33 |
-1.83 |
0 |
|
|
540 |
2953 |
1 |
O4H6C9 |
A4B6C9 |
-95.38 |
7.02 |
-8.44 |
-1.5 |
0 |
|
|
541 |
2961 |
1 |
NPO7C46H82 |
ABC7D46E82 |
-397.16 |
10.53 |
-9.3 |
0.04 |
0 |
|
|
542 |
2962 |
1 |
NPO7C46H83 |
ABC7D46E83 |
-392.32 |
4.11 |
0.0 |
0.0 |
1 |
|
|
543 |
2963 |
1 |
N3H15C16 |
A3B15C16 |
86.84 |
8.98 |
-8.16 |
-1.14 |
0 |
|
|
544 |
2967 |
2 |
O5C16H24 |
A5B16C24 |
-483.12 |
4.17 |
-8.95 |
0.13 |
0 |
|
|
545 |
2970 |
1 |
O4N5C11H13 |
A4B5C11D13 |
-84.06 |
4.24 |
-9.11 |
-0.56 |
0 |
|
|
546 |
2972 |
1 |
NO2C7H9 |
AB2C7D9 |
-55.95 |
9.19 |
-8.33 |
0.12 |
0 |
|
|
547 |
2974 |
1 |
O5C24H33 |
A5B24C33 |
-230.89 |
4.83 |
0.0 |
0.0 |
-1 |
|
|
548 |
2975 |
1 |
O5C24H34 |
A5B24C34 |
-261.89 |
5.66 |
-10.4 |
-0.05 |
0 |
|
|
549 |
2976 |
1 |
N2O5C26H32 |
A2B5C26D32 |
-193.87 |
3.6 |
-9.32 |
0.13 |
0 |
|
|
550 |
2977 |
1 |
O2C21H30 |
A2B21C30 |
-116.53 |
1.0 |
-8.68 |
0.53 |
0 |
|
|
551 |
2978 |
1 |
O2C21H30 |
A2B21C30 |
-113.57 |
1.16 |
-8.66 |
0.57 |
0 |
|
|
552 |
2979 |
1 |
RhN6C22H27 |
AB6C22D27 |
157.38 |
5.06 |
-9.74 |
-4.22 |
-3 |
|
|
553 |
2980 |
2 |
N2C4H11 |
A2B4C11 |
-19.71 |
3.06 |
-8.94 |
2.56 |
0 |
|
|
554 |
2981 |
2 |
NH5C7 |
AB5C7 |
95.55 |
3.92 |
-9.18 |
-1.15 |
0 |
|
|
555 |
2984 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-122.84 |
2.43 |
-9.19 |
-0.7 |
0 |
|
|
556 |
2985 |
1 |
O2C17H24 |
A2B17C24 |
6.1 |
3.74 |
-10.1 |
-0.08 |
0 |
|
|
557 |
2991 |
1 |
O5C24H32 |
A5B24C32 |
-222.04 |
9.18 |
-9.72 |
-0.29 |
0 |
|
|
558 |
2992 |
1 |
O4C11H16 |
A4B11C16 |
-91.91 |
1.33 |
-10.22 |
0.45 |
0 |
|
|
559 |
2994 |
1 |
N4O5C19H28 |
A4B5C19D28 |
-225.48 |
5.78 |
-9.66 |
-0.02 |
0 |
|
|
560 |
2995 |
2 |
NC9H11 |
AB9C11 |
43.41 |
1.56 |
-8.29 |
0.35 |
0 |
|
|
561 |
2996 |
1 |
O19C47H74 |
A19B47C74 |
-909.27 |
4.36 |
-9.85 |
-0.69 |
0 |
|
|
562 |
2997 |
1 |
ClON2H11C15 |
ABC2D11E15 |
21.11 |
3.27 |
-9.36 |
-0.97 |
0 |
|
|
563 |
2998 |
1 |
NO3C17H27 |
AB3C17D27 |
-145.93 |
2.33 |
-8.58 |
0.12 |
0 |
|
|
564 |
3001 |
1 |
O4C23H32 |
A4B23C32 |
-205.18 |
6.17 |
-9.79 |
-0.01 |
0 |
|
|
565 |
3003 |
1 |
FO5C22H29 |
AB5C22D29 |
-266.11 |
9.07 |
-9.64 |
-0.31 |
0 |
|
|
566 |
3004 |
1 |
FSO9C29H33 |
ABC9D29E33 |
-400.58 |
4.48 |
-9.91 |
-1.59 |
0 |
|
|
567 |
3005 |
1 |
FO6C38H59 |
AB6C38D59 |
-367.71 |
8.87 |
-9.79 |
-0.42 |
0 |
|
|
568 |
3006 |
1 |
FPO8C22H28 |
ABC8D22E28 |
-426.5 |
10.38 |
-9.73 |
-1.46 |
-2 |
|
|
569 |
3007 |
1 |
NC9H13 |
AB9C13 |
8.87 |
1.62 |
-9.19 |
0.35 |
0 |
|
|
570 |
3009 |
2 |
FNOC3H6 |
ABCD3E6 |
-196.61 |
3.74 |
-9.75 |
0.2 |
0 |
|
|
571 |
3011 |
2 |
OC10H17 |
AB10C17 |
-113.27 |
5.49 |
-9.52 |
0.69 |
0 |
|
|
572 |
3012 |
1 |
FOSN3H26C27 |
ABCD3E26F27 |
-1.31 |
3.34 |
-8.77 |
-1.08 |
0 |
|
|
573 |
3013 |
1 |
OSF2N3H25C28 |
ABC2D3E25F28 |
-40.93 |
3.73 |
-9.09 |
-0.95 |
0 |
|
|
574 |
3018 |
2 |
NO3C9H11 |
AB3C9D11 |
-188.85 |
3.5 |
-9.63 |
-1.65 |
0 |
|
|
575 |
3019 |
1 |
ClSN2O2H7C8 |
ABC2D2E7F8 |
-50.28 |
8.91 |
-9.43 |
-0.98 |
0 |
|
|
576 |
3020 |
14 |
OH3C4 |
AB3C4 |
-388.85 |
5.3 |
-8.51 |
-0.41 |
0 |
|
|
577 |
3021 |
1 |
N5O8C18H37 |
A5B8C18D37 |
-374.11 |
1.28 |
-9.52 |
0.66 |
0 |
|
|
578 |
3023 |
1 |
SH8C12 |
AB8C12 |
51.28 |
1.2 |
-8.49 |
-0.61 |
0 |
|
|
579 |
3028 |
1 |
PN5O9C17H24 |
AB5C9D17E24 |
-418.52 |
3.31 |
-10.1 |
-0.95 |
0 |
|
|
580 |
3030 |
1 |
Cl2O3H6C8 |
A2B3C6D8 |
-113.57 |
5.23 |
-9.9 |
-1.41 |
0 |
|
|
581 |
3031 |
1 |
NCl2H3C7 |
AB2C3D7 |
40.11 |
5.07 |
-10.15 |
-1.28 |
0 |
|
|
582 |
3032 |
1 |
NCl2O2H10C14 |
AB2C2D10E14 |
-34.0 |
6.95 |
0.0 |
0.0 |
-1 |
|
|
583 |
3033 |
1 |
NCl2O2H11C14 |
AB2C2D11E14 |
-58.33 |
6.3 |
-9.13 |
-0.84 |
0 |
|
|
584 |
3034 |
1 |
OCl3N6H13C14 |
AB3C6D13E14 |
8.41 |
6.23 |
-8.68 |
-1.0 |
0 |
|
|
585 |
3035 |
2 |
Cl2H4C7 |
A2B4C7 |
27.96 |
0.26 |
-9.6 |
-0.54 |
0 |
|
|
586 |
3037 |
1 |
Cl2O2H10C13 |
A2B2C10D13 |
-68.09 |
3.85 |
-8.91 |
-0.56 |
0 |
|
|
587 |
3039 |
1 |
PCl2C4O4H7 |
AB2C4D4E7 |
-229.39 |
3.11 |
-9.49 |
-0.24 |
0 |
|
|
588 |
3040 |
1 |
SCl2N3O5H16C19 |
AB2C3D5E16F19 |
-117.84 |
7.16 |
0.0 |
0.0 |
-1 |
|
|
589 |
3041 |
1 |
SCl2N3O5H17C19 |
AB2C3D5E17F19 |
-129.68 |
3.17 |
-9.65 |
-0.93 |
0 |
|
|
590 |
3042 |
1 |
NO2C19H35 |
AB2C19D35 |
-143.48 |
2.43 |
-8.61 |
0.99 |
0 |
|
|
591 |
3043 |
1 |
O3N4C10H12 |
A3B4C10D12 |
-65.36 |
12.56 |
-9.12 |
-0.3 |
0 |
|
|
592 |
3045 |
1 |
NO4C7H7 |
AB4C7D7 |
-109.82 |
4.39 |
-9.29 |
-0.9 |
0 |
|
|
593 |
3047 |
2 |
NS2O3H5C8 |
AB2C3D5E8 |
-105.88 |
2.51 |
-9.21 |
-1.71 |
0 |
|
|
594 |
3049 |
2 |
OC9H9 |
AB9C9 |
-31.95 |
0.34 |
-8.79 |
0.16 |
0 |
|
|
595 |
3050 |
1 |
PO3C12H19 |
AB3C12D19 |
-191.54 |
5.17 |
-9.09 |
0.24 |
0 |
|
|
596 |
3051 |
1 |
O5C6H10 |
A5B6C10 |
-218.11 |
1.22 |
-11.76 |
-0.88 |
0 |
|
|
597 |
3052 |
1 |
ON3C10H21 |
AB3C10D21 |
-59.03 |
3.98 |
-8.54 |
1.05 |
0 |
|
|
598 |
3053 |
1 |
N3O10C14H23 |
A3B10C14D23 |
-439.69 |
2.32 |
-9.76 |
-0.44 |
0 |
|
|
599 |
3056 |
1 |
F2O7C26H32 |
A2B7C26D32 |
-401.81 |
12.34 |
-9.68 |
-0.34 |
0 |
|
|
600 |
3057 |
1 |
F2O5C27H36 |
A2B5C27D36 |
-336.27 |
9.54 |
-9.92 |
-0.6 |
0 |
|
|
601 |
3059 |
1 |
F2O3H8C13 |
A2B3C8D13 |
-176.39 |
6.23 |
-9.74 |
-1.07 |
0 |
|
|
602 |
3061 |
1 |
O13C41H64 |
A13B41C64 |
-644.1 |
3.33 |
-9.85 |
-0.46 |
0 |
|
|
603 |
3063 |
1 |
NO3C18H23 |
AB3C18D23 |
-96.21 |
2.91 |
-8.24 |
0.19 |
0 |
|
|
604 |
3064 |
1 |
NO5C29H39 |
AB5C29D39 |
-208.28 |
2.07 |
-9.46 |
0.16 |
0 |
|
|
605 |
3065 |
1 |
N5O5C35H41 |
A5B5C35D41 |
-171.91 |
7.05 |
-8.36 |
-0.12 |
0 |