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5-Amino-2-methoxy-3-methylpyridine HCl |
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ID: B184508 CAS:867012-70-2 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(c(cc(c1)N)C)OC.Cl FORMULA: C7H11ClN2O
MASS: 174.6280
EXACT MASS: 174.0559907
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7447 0.0000
C 3 1.2935 0.7500 0.0000
C 4 1.4875 1.2900 0.7426 0.0000
C 5 0.7411 1.2875 1.4900 1.2879 0.0000
C 6 1.2843 1.4859 1.2875 0.7432 0.7417 0.0000
O 7 1.2875 0.7411 1.2915 1.9673 1.9645 2.2270
N 8 1.9587 2.2233 1.9588 1.2792 1.2822 0.7375
Cl 9 3.4938 2.7720 2.6931 3.3683 4.0340 3.9800
C 10 1.9736 1.2951 0.7432 1.2875 2.2333 1.9669
C 11 1.4859 1.2843 1.9699 2.5743 2.2270 2.6758
H 12 2.7862 2.0516 1.9437 2.6271 3.2965 3.2302
O 7 N 8 Cl 9 C 10 C 11 H 12
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O 7 0.0000
N 8 2.9645 0.0000
Cl 9 2.2957 4.6386 0.0000
C 10 1.4958 2.5667 2.1015 0.0000
C 11 0.7417 3.3968 2.7117 2.2375 0.0000
H 12 1.6606 3.8928 0.7500 1.3798 2.2001 0.0000
ATOMIC CHARGES
N 1 -0.2089889944
C 2 0.2208064436
C 3 0.0326708267
C 4 0.0199919165
C 5 0.1200063688
C 6 0.1080947432
O 7 -0.4563347508
N 8 -0.1264349756
Cl 9 -0.1453996612
C 10 0.0359662956
C 11 0.2542221264
H 12 0.1453996612
BOND ANGLES
4 3 2 Car Car Car 119.589
3 2 1 Car Car Nar 119.863
2 3 4 Car Car Car 119.589
3 4 6 Car Car Car 120.110
TORSION ANGLES
3 2 1 5 0.026
7 2 1 5 179.974
10 3 2 1 179.974
10 3 2 7 0.026
4 3 2 1 0.026
4 3 2 7 179.974
3 4 6 5 0.026
3 4 6 8 179.974
6 5 1 2 0.026
4 6 5 1 0.026
8 6 5 1 179.974
11 7 2 1 0.026
11 7 2 3 179.974
2 3 4 6 0.026
10 3 4 6 179.974
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