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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
ID: BP-11218
CAS:401632-42-6
Supplier:BroadPharm

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SMILES:n1[nH]c(c(c1C)CCNC)C	
FORMULA: C8H15N3
MASS: 153.2248
EXACT MASS: 153.1265975
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    2.0193     0.0000 
   N   3    1.2543     2.0242     0.0000 
   C   4    2.0180     1.2529     1.2447     0.0000 
   C   5    1.2423     1.2518     2.0228     2.0218     0.0000 
   C   6    3.2283     1.2471     3.2330     2.2294     2.2283     0.0000 
   N   7    3.5259     2.5000     4.2295     3.7482     2.3013     2.1634 
   C   8    3.2349     2.2316     2.2256     1.2540     3.2375     2.7227 
   C   9    2.2256     2.2249     3.2379     3.2334     1.2511     2.7140 
   C  10    3.8208     2.1634     4.1651     3.3481     2.6134     1.2500 
   C  11    4.6148     3.7500     5.4288     4.9976     3.4421     3.3061 

              N   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    4.6526     0.0000 
   C   9    1.5982     4.4017     0.0000 
   C  10    1.2471     3.9681     2.4835     0.0000 
   C  11    1.2500     5.8879     2.4584     2.1634     0.0000 



ATOMIC CHARGES
   N   1   -0.1529773544
   C   2    0.0098450531
   N   3   -0.1529773544
   C   4    0.0781351691
   C   5    0.0781351691
   C   6    0.0476536554
   N   7   -0.2161764271
   C   8    0.0536987162
   C   9    0.0536987162
   C  10    0.0935002574
   C  11    0.1074643995


BOND ANGLES
   3    1    5  Nar  Nar  Car    108.239
   5    2    6  Car  Car   C3    126.172
   4    2    5  Car  Car  Car    107.644
   4    2    6  Car  Car   C3    126.184
   1    3    4  Nar  Nar  Car    107.712
   3    4    8  Nar  Car   C3    125.922
   2    4    3  Car  Car  Nar    108.282
   2    4    8  Car  Car   C3    125.796
   1    5    2  Nar  Car  Car    108.123
   2    5    9  Car  Car   C3    125.475
   1    5    9  Nar  Car   C3    126.403
   2    6   10  Car   C3   C3    120.077
  10    7   11   C3   N3   C3    120.077
   6   10    7   C3   C3   N3    120.077


TORSION ANGLES
   6    2    5    1    179.974
   6    2    5    9      0.026
   4    2    5    1      0.026
   4    2    5    9    179.974
   4    3    1    5      0.026
   8    4    3    1    179.974
   2    4    3    1      0.026
   2    5    1    3      0.026
   9    5    1    3    179.974
  10    6    2    5      0.026
  10    6    2    4    179.974
  11    7   10    6    179.974
   7   10    6    2      0.026
   5    2    4    3      0.026
   5    2    4    8    179.974
   6    2    4    3    179.974
   6    2    4    8      0.026