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3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole Summary
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3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole Summary
Dihedrals
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
Dihedrals Table
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Flexible
Restrained
Rigid
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Dihedral
Atom names
Experimental
Type
1
F-C11-C8-C9
C9-C8-C11-F
-
Flexible
2
F-C11-C8-C10
C10-C8-C11-F
-
Flexible
3
F1-C11-C8-C9
C9-C8-C11-F1
-
Flexible
4
F1-C11-C8-C10
C10-C8-C11-F1
-
Flexible
5
F2-C11-C8-C9
C9-C8-C11-F2
-
Flexible
6
F2-C11-C8-C10
C10-C8-C11-F2
-
Flexible
7
O-C5-C2-C
C-C2-C5-O
-
Flexible
8
O1-N-C3-C1
C1-C3-N-O1
-
Flexible
9
O1-N-C3-C4
C4-C3-N-O1
-
Flexible
10
O1-C12-C14-N1
N1-C14-C12-O1
-
Flexible
11
N-O1-C12-C14
C14-C12-O1-N
-
Flexible
12
N-C3-C1-C
C-C1-C3-N
-
Flexible
13
N-C3-C4-C6
C6-C4-C3-N
-
Flexible
14
N-C3-C4-C7
C7-C4-C3-N
-
Flexible
15
C-C1-C3-C4
C4-C3-C1-C
-
Flexible
16
C1-C-C2-C5
C5-C2-C-C1
-
Flexible
17
C1-C3-C4-C6
C6-C4-C3-C1
-
Flexible
18
C1-C3-C4-C7
C7-C4-C3-C1
-
Flexible
19
C2-C-C1-C3
C3-C1-C-C2
-
Flexible
20
C2-C5-O-C13
C13-O-C5-C2
-
Flexible
21
C3-N-O1-C12
C12-O1-N-C3
-
Restrained
22
C3-C4-C6-C9
C9-C6-C4-C3
-
Rigid
23
C3-C4-C7-C10
C10-C7-C4-C3
-
Rigid
24
C4-C6-C9-C8
C8-C9-C6-C4
-
Rigid
25
C4-C7-C10-C8
C8-C10-C7-C4
-
Rigid
26
C6-C4-C7-C10
C10-C7-C4-C6
-
Rigid
27
C6-C9-C8-C10
C10-C8-C9-C6
-
Rigid
28
C6-C9-C8-C11
C11-C8-C9-C6
-
Rigid
29
C7-C4-C6-C9
C9-C6-C4-C7
-
Rigid
30
C7-C10-C8-C9
C9-C8-C10-C7
-
Rigid
31
C7-C10-C8-C11
C11-C8-C10-C7
-
Rigid
Dihedrals
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Dihedrals Histogram
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