|
1H-pyrrolo[3,2-b]pyridin-5-amine HCl |
|
|
|
ID: B187273 CAS:207849-66-9 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c2cc[nH]c2ccc1N FORMULA: C7H7N3
MASS: 133.1506
EXACT MASS: 133.0639972
INTERATOMIC DISTANCES
N 1 C 2 N 3 C 4 C 5 C 6
------------------------------------------------------------------
N 1 0.0000
C 2 0.7468 0.0000
N 3 1.9063 1.1975 0.0000
C 4 1.3570 0.7432 1.2000 0.0000
C 5 1.9337 1.1979 0.7377 0.7426 0.0000
C 6 0.7432 1.2875 2.2196 2.0058 2.4561 0.0000
C 7 1.2885 0.7375 0.7432 1.2003 1.1977 1.4874
C 8 1.4875 1.2864 1.3666 1.9092 1.9385 1.2843
N 9 1.2875 1.9678 2.9609 2.6407 3.1603 0.7426
C 10 1.2915 1.4879 2.0117 2.2212 2.4593 0.7458
C 7 C 8 N 9 C 10
--------------------------------------------
C 7 0.0000
C 8 0.7504 0.0000
N 9 2.2301 1.9610 0.0000
C 10 1.2917 0.7391 1.2864 0.0000
ATOMIC CHARGES
N 1 -0.2258722313
C 2 0.1019264927
N 3 -0.2422642643
C 4 0.0412996168
C 5 0.1004827069
C 6 0.1697643184
C 7 0.0990772317
C 8 0.0236064583
N 9 -0.1072045098
C 10 0.0391841806
BOND ANGLES
5 3 7 Car Nar Car 107.954
3 7 2 Nar Car Car 107.949
7 8 10 Car Car Car 120.273
8 10 6 Car Car Car 119.746
10 8 7 Car Car Car 120.273
8 7 2 Car Car Car 119.655
7 3 5 Car Nar Car 107.954
3 5 4 Nar Car Car 108.324
TORSION ANGLES
4 2 1 6 179.974
7 2 1 6 0.026
5 3 7 2 0.026
5 3 7 8 179.974
5 4 2 1 179.974
5 4 2 7 0.026
3 5 4 2 0.026
9 6 1 2 179.974
10 6 1 2 0.026
3 7 2 1 179.974
3 7 2 4 0.026
8 7 2 1 0.026
8 7 2 4 179.974
7 8 10 6 0.026
8 10 6 1 0.026
8 10 6 9 179.974
10 8 7 3 179.974
10 8 7 2 0.026
7 3 5 4 0.026
|