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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
O-C-C1-C2
C2-C1-C-O
-
Rigid
2
O-C-C13-C12
C12-C13-C-O
-
Rigid
3
C-C1-C2-C3
C3-C2-C1-C
-
Rigid
4
C-C1-C2-C11
C11-C2-C1-C
-
Rigid
5
C-C13-C12-C11
C11-C12-C13-C
-
Rigid
6
C1-C-C13-C12
C12-C13-C-C1
-
Rigid
7
C1-C2-C3-C4
C4-C3-C2-C1
-
Flexible
8
C1-C2-C3-C9
C9-C3-C2-C1
-
Flexible
9
C1-C2-C11-C12
C12-C11-C2-C1
-
Rigid
10
C2-C1-C-C13
C13-C-C1-C2
-
Rigid
11
C2-C3-C4-C5
C5-C4-C3-C2
-
Flexible
12
C2-C3-C4-C8
C8-C4-C3-C2
-
Flexible
13
C2-C3-C9-C10
C10-C9-C3-C2
-
Flexible
14
C2-C11-C12-C13
C13-C12-C11-C2
-
Rigid
15
C3-C2-C11-C12
C12-C11-C2-C3
-
Rigid
16
C3-C4-C5-N
N-C5-C4-C3
-
Flexible
17
C4-C3-C2-C11
C11-C2-C3-C4
-
Flexible
18
C4-C3-C9-C10
C10-C9-C3-C4
-
Flexible
19
C4-C5-N-C6
C6-N-C5-C4
-
Flexible
20
C4-C5-N-C7
C7-N-C5-C4
-
Flexible
21
C5-C4-C3-C9
C9-C3-C4-C5
-
Flexible
22
N-C5-C4-C8
C8-C4-C5-N
-
Flexible
23
C8-C4-C3-C9
C9-C3-C4-C8
-
Flexible
24
C9-C3-C2-C11
C11-C2-C3-C9
-
Flexible
Dihedrals
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