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1H-benzimidazole-2-carbaldehyde
1H-benzimidazole-2-carbaldehyde
ID: BP-11203
CAS:3314-30-5
Supplier:BroadPharm

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SMILES:n1c([nH]c2c1cccc2)C=O	
FORMULA: C8H6N2O
MASS: 146.1460
EXACT MASS: 146.0480128
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2459     0.0000 
   N   3    2.0167     1.2526     0.0000 
   C   4    1.2466     2.0239     2.0228     0.0000 
   C   5    2.0160     2.0239     1.2491     1.2500     0.0000 
   C   6    2.2268     1.2500     2.2305     3.2359     3.2359     0.0000 
   O   7    3.3441     2.1654     2.6135     4.1663     3.8275     1.2507 
   C   8    2.2800     3.2539     3.2026     1.2471     2.1634     4.4340 
   C   9    3.1968     3.2539     2.2791     2.1634     1.2471     4.4340 
   C  10    3.7289     4.1392     3.3765     2.5014     2.1667     5.3781 
   C  11    3.3756     4.1392     3.7326     2.1667     2.5014     5.3781 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    5.4084     0.0000 
   C   9    4.8820     2.5000     0.0000 
   C  10    5.9843     2.1676     1.2543     0.0000 
   C  11    6.2064     1.2543     2.1676     1.2500     0.0000 



ATOMIC CHARGES
   N   1   -0.2222658799
   C   2    0.2055247154
   N   3   -0.2222658799
   C   4    0.1006789073
   C   5    0.1006789073
   C   6    0.2726960940
   O   7   -0.2797170193
   C   8    0.0206902599
   C   9    0.0206902599
   C  10    0.0016448177
   C  11    0.0016448177


BOND ANGLES
   2    1    4  Car  Nar  Car    108.584
   1    2    3  Nar  Car  Nar    107.636
   1    2    6  Nar  Car   C2    126.294
   3    2    6  Nar  Car   C2    126.069
   2    3    5  Car  Nar  Car    107.997
   1    4    5  Nar  Car  Car    107.710
   1    4    8  Nar  Car  Car    132.214
   5    4    8  Car  Car  Car    120.077
   4    5    9  Car  Car  Car    120.077
   3    5    4  Nar  Car  Car    108.072
   3    5    9  Nar  Car  Car    131.851
   2    6    7  Car   C2   O2    119.982
   4    8   11  Car  Car  Car    120.037
   5    9   10  Car  Car  Car    120.037
   9   10   11  Car  Car  Car    119.887
   8   11   10  Car  Car  Car    119.887


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