PN8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | sing | 0.00Å | 1.42Å | |
N | N1 | sing | 0.00Å | 1.40Å | |
N | C2 | sing | 0.00Å | 1.46Å | |
N1 | N2 | trip | 0.00Å | 1.17Å | |
C2 | C1 | sing | 0.00Å | 1.55Å | |
C | C1 | sing | 0.00Å | 1.54Å | |
C | C6 | sing | 0.00Å | 1.52Å | |
O3 | C6 | sing | 0.00Å | 1.42Å | |
C1 | C3 | sing | 0.00Å | 1.55Å | |
C6 | C5 | sing | 0.00Å | 1.54Å | |
O1 | C3 | sing | 0.00Å | 1.42Å | |
C3 | C4 | sing | 0.00Å | 1.54Å | |
C5 | C4 | sing | 0.00Å | 1.53Å | |
C5 | O2 | sing | 0.00Å | 1.42Å | |
C3 | H2 | sing | 0.00Å | 1.10Å | |
C2 | H7 | sing | 0.00Å | 1.10Å | |
C2 | H6 | sing | 0.00Å | 1.10Å | |
C6 | H4 | sing | 0.00Å | 1.10Å | |
C4 | H10 | sing | 0.00Å | 1.10Å | |
C4 | H9 | sing | 0.00Å | 1.10Å | |
C1 | H1 | sing | 0.00Å | 1.10Å | |
O1 | H8 | sing | 0.00Å | 0.95Å | |
N | HN | sing | 0.00Å | 1.00Å | |
C5 | H3 | sing | 0.00Å | 1.10Å | |
O2 | H11 | sing | 0.00Å | 0.95Å | |
O3 | H12 | sing | 0.00Å | 0.95Å | |
C | H | sing | 0.00Å | 1.10Å | |
O | H5 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C1 | 110.7° | 90.0° |
O | C | C6 | 109.1° | 90.0° |
O | C | H | 109.3° | 90.0° |
C | O | H5 | 109.5° | 90.0° |
N1 | N | C2 | 124.6° | 90.0° |
N | N1 | N2 | 175.9° | 90.0° |
N1 | N | HN | 117.7° | 90.0° |
N | C2 | C1 | 116.1° | 90.0° |
N | C2 | H7 | 107.8° | 90.0° |
N | C2 | H6 | 107.8° | 90.0° |
C2 | N | HN | 117.7° | 90.0° |
C2 | C1 | C | 114.3° | 90.0° |
C2 | C1 | C3 | 111.6° | 90.0° |
C1 | C2 | H7 | 107.8° | 90.0° |
C1 | C2 | H6 | 107.8° | 90.0° |
C2 | C1 | H1 | 106.4° | 90.0° |
C1 | C | C6 | 112.1° | 90.0° |
C | C1 | C3 | 111.1° | 90.0° |
C | C1 | H1 | 106.5° | 90.0° |
C1 | C | H | 107.7° | 90.0° |
C | C6 | O3 | 108.5° | 90.0° |
C | C6 | C5 | 110.6° | 90.0° |
C | C6 | H4 | 109.0° | 90.0° |
C6 | C | H | 108.0° | 90.0° |
O3 | C6 | C5 | 109.8° | 90.0° |
O3 | C6 | H4 | 110.3° | 90.0° |
C6 | O3 | H12 | 109.5° | 90.0° |
C1 | C3 | O1 | 108.0° | 90.0° |
C1 | C3 | C4 | 111.8° | 90.0° |
C1 | C3 | H2 | 107.8° | 90.0° |
C3 | C1 | H1 | 106.4° | 90.0° |
C6 | C5 | C4 | 111.8° | 90.0° |
C6 | C5 | O2 | 110.4° | 90.0° |
C5 | C6 | H4 | 108.6° | 90.0° |
C6 | C5 | H3 | 107.1° | 90.0° |
O1 | C3 | C4 | 111.7° | 90.0° |
O1 | C3 | H2 | 109.4° | 90.0° |
C3 | O1 | H8 | 109.5° | 90.0° |
C3 | C4 | C5 | 107.8° | 90.0° |
C4 | C3 | H2 | 107.9° | 90.0° |
C3 | C4 | H10 | 109.9° | 90.0° |
C3 | C4 | H9 | 109.9° | 90.0° |
C4 | C5 | O2 | 111.7° | 90.0° |
C5 | C4 | H10 | 109.9° | 90.0° |
C5 | C4 | H9 | 109.9° | 90.0° |
C4 | C5 | H3 | 107.2° | 90.0° |
O2 | C5 | H3 | 108.5° | 90.0° |
C5 | O2 | H11 | 109.5° | 90.0° |
H7 | C2 | H6 | 109.5° | 90.0° |
H10 | C4 | H9 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C1 | C2 | 58.0° | 90.0° |
O | C | C1 | C6 | 122.0° | 90.0° |
O | C | C1 | H | 119.4° | 90.0° |
O | C | C6 | H | 118.6° | 90.0° |
O | C | C6 | O3 | 62.7° | 90.0° |
O | C | C1 | C3 | 174.7° | 90.0° |
O | C | C6 | C5 | 176.7° | 90.0° |
O | C | C6 | H4 | 57.3° | 90.0° |
O | C | C1 | H1 | 59.2° | 90.0° |
N1 | N | C2 | HN | 180.0° | 90.0° |
N1 | N | C2 | C1 | 47.4° | 90.0° |
N1 | N | C2 | H7 | 168.4° | 90.0° |
N1 | N | C2 | H6 | 73.5° | 90.0° |
C2 | N | N1 | N2 | 175.0° | 90.0° |
N | C2 | C1 | H7 | 121.0° | 90.0° |
N | C2 | C1 | H6 | 121.0° | 90.0° |
N | C2 | C1 | C | 36.9° | 90.0° |
N | C2 | C1 | C3 | 90.2° | 90.0° |
N | C2 | H7 | H6 | 117.0° | 90.0° |
N | C2 | C1 | H1 | 154.1° | 90.0° |
N2 | N1 | N | HN | 5.0° | 90.0° |
C2 | C1 | C | C3 | 127.3° | 90.0° |
C2 | C1 | C | H1 | 117.2° | 90.0° |
C2 | C1 | C | C6 | 180.0° | 90.0° |
C2 | C1 | C3 | H1 | 115.7° | 90.0° |
C2 | C1 | C3 | O1 | 60.8° | 90.0° |
C2 | C1 | C3 | C4 | 175.8° | 90.0° |
C2 | C1 | C3 | H2 | 57.4° | 90.0° |
C1 | C2 | H7 | H6 | 117.0° | 90.0° |
C1 | C2 | N | HN | 132.6° | 90.0° |
C2 | C1 | C | H | 61.4° | 90.0° |
C1 | C | C6 | H | 118.5° | 90.0° |
C1 | C | C6 | O3 | 174.3° | 90.0° |
C | C1 | C3 | H1 | 115.5° | 90.0° |
C1 | C | C6 | C5 | 53.8° | 90.0° |
C | C1 | C3 | O1 | 68.0° | 90.0° |
C | C1 | C3 | C4 | 55.4° | 90.0° |
C | C1 | C3 | H2 | 173.8° | 90.0° |
C | C1 | C2 | H7 | 84.1° | 90.0° |
C | C1 | C2 | H6 | 157.9° | 90.0° |
C1 | C | C6 | H4 | 65.6° | 90.0° |
C1 | C | O | H5 | 180.0° | 90.0° |
C | C6 | O3 | C5 | 121.1° | 90.0° |
C | C6 | O3 | H4 | 119.3° | 90.0° |
C6 | C | C1 | C3 | 52.6° | 90.0° |
C | C6 | C5 | H4 | 119.5° | 90.0° |
C | C6 | C5 | C4 | 58.3° | 90.0° |
C | C6 | C5 | O2 | 176.7° | 90.0° |
C6 | C | C1 | H1 | 62.8° | 90.0° |
C | C6 | C5 | H3 | 58.8° | 90.0° |
C | C6 | O3 | H12 | 180.0° | 90.0° |
C6 | C | O | H5 | 56.2° | 90.0° |
O3 | C6 | C5 | H4 | 120.7° | 90.0° |
O3 | C6 | C5 | C4 | 178.1° | 90.0° |
O3 | C6 | C5 | O2 | 56.9° | 90.0° |
O3 | C6 | C5 | H3 | 61.0° | 90.0° |
O3 | C6 | C | H | 55.9° | 90.0° |
C1 | C3 | O1 | C4 | 123.4° | 90.0° |
C1 | C3 | O1 | H2 | 117.1° | 90.0° |
C1 | C3 | C4 | H2 | 118.4° | 90.0° |
C1 | C3 | C4 | C5 | 58.1° | 90.0° |
C3 | C1 | C2 | H7 | 148.8° | 90.0° |
C3 | C1 | C2 | H6 | 30.8° | 90.0° |
C1 | C3 | C4 | H10 | 61.7° | 90.0° |
C1 | C3 | C4 | H9 | 177.8° | 90.0° |
C1 | C3 | O1 | H8 | 180.0° | 90.0° |
C3 | C1 | C | H | 66.0° | 90.0° |
C6 | C5 | C4 | C3 | 59.5° | 90.0° |
C6 | C5 | C4 | O2 | 124.3° | 90.0° |
C6 | C5 | C4 | H3 | 117.0° | 90.0° |
C6 | C5 | O2 | H3 | 117.0° | 90.0° |
C6 | C5 | C4 | H10 | 60.2° | 90.0° |
C6 | C5 | C4 | H9 | 179.2° | 90.0° |
C6 | C5 | O2 | H11 | 180.0° | 90.0° |
C5 | C6 | O3 | H12 | 58.9° | 90.0° |
C5 | C6 | C | H | 64.7° | 90.0° |
O1 | C3 | C4 | H2 | 120.3° | 90.0° |
O1 | C3 | C4 | C5 | 63.2° | 90.0° |
O1 | C3 | C4 | H10 | 177.1° | 90.0° |
O1 | C3 | C4 | H9 | 56.5° | 90.0° |
O1 | C3 | C1 | H1 | 176.5° | 90.0° |
C3 | C4 | C5 | H10 | 119.7° | 90.0° |
C3 | C4 | C5 | H9 | 119.7° | 90.0° |
C3 | C4 | C5 | O2 | 176.2° | 90.0° |
C3 | C4 | H10 | H9 | 120.8° | 90.0° |
C4 | C3 | C1 | H1 | 60.2° | 90.0° |
C4 | C3 | O1 | H8 | 56.6° | 90.0° |
C3 | C4 | C5 | H3 | 57.5° | 90.0° |
C4 | C5 | O2 | H3 | 117.9° | 90.0° |
C5 | C4 | C3 | H2 | 176.5° | 90.0° |
C4 | C5 | C6 | H4 | 61.2° | 90.0° |
C5 | C4 | H10 | H9 | 120.8° | 90.0° |
C4 | C5 | O2 | H11 | 54.9° | 90.0° |
O2 | C5 | C6 | H4 | 63.7° | 90.0° |
O2 | C5 | C4 | H10 | 64.0° | 90.0° |
O2 | C5 | C4 | H9 | 56.5° | 90.0° |
H2 | C3 | C4 | H10 | 56.7° | 90.0° |
H2 | C3 | C4 | H9 | 63.8° | 90.0° |
H2 | C3 | C1 | H1 | 58.3° | 90.0° |
H2 | C3 | O1 | H8 | 62.9° | 90.0° |
H7 | C2 | C1 | H1 | 33.2° | 90.0° |
H7 | C2 | N | HN | 11.6° | 90.0° |
H6 | C2 | C1 | H1 | 84.9° | 90.0° |
H6 | C2 | N | HN | 106.5° | 90.0° |
H4 | C6 | C5 | H3 | 178.3° | 90.0° |
H4 | C6 | O3 | H12 | 60.7° | 90.0° |
H4 | C6 | C | H | 176.0° | 90.0° |
H10 | C4 | C5 | H3 | 177.2° | 90.0° |
H9 | C4 | C5 | H3 | 62.2° | 90.0° |
H1 | C1 | C | H | 178.6° | 90.0° |
H3 | C5 | O2 | H11 | 63.0° | 90.0° |
H | C | O | H5 | 61.6° | 90.0° |