FHN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.40Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.45Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C7 | sing | 1.53Å | 1.54Å | |
C5 | N | sing | 1.47Å | 1.45Å | |
C7 | O7 | sing | 1.43Å | 1.42Å | |
N | C1 | sing | 1.47Å | 1.49Å | |
C1 | C6 | sing | 1.53Å | 1.54Å | |
C6 | O6 | sing | 1.43Å | 1.45Å | |
O2 | H2 | sing | 0.97Å | 0.95Å | |
C2 | HA | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O3 | HB | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HC | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H71C | sing | 1.09Å | 1.10Å | |
C7 | H72C | sing | 1.09Å | 1.10Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å | |
O7 | H7 | sing | 0.97Å | 0.95Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
O6 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 110.7° | 109.5° |
O2 | C2 | C1 | 110.8° | 109.5° |
C2 | O2 | H2 | 109.5° | 114.0° |
O2 | C2 | HA | 108.1° | 109.5° |
C3 | C2 | C1 | 110.6° | 109.2° |
C2 | C3 | O3 | 108.9° | 109.5° |
C2 | C3 | C4 | 109.5° | 109.1° |
C3 | C2 | HA | 108.3° | 109.5° |
C2 | C3 | H3 | 110.7° | 109.5° |
C2 | C1 | N | 109.4° | 109.6° |
C2 | C1 | C6 | 115.6° | 109.5° |
C1 | C2 | HA | 108.2° | 109.6° |
C2 | C1 | H1 | 106.1° | 109.5° |
O3 | C3 | C4 | 111.9° | 109.6° |
O3 | C3 | H3 | 108.2° | 109.5° |
C3 | O3 | HB | 109.5° | 113.9° |
C3 | C4 | O4 | 110.3° | 109.5° |
C3 | C4 | C5 | 110.1° | 109.3° |
C4 | C3 | H3 | 107.6° | 109.6° |
C3 | C4 | H4 | 108.4° | 109.5° |
O4 | C4 | C5 | 109.0° | 109.5° |
O4 | C4 | H4 | 109.4° | 109.5° |
C4 | O4 | HC | 109.5° | 114.0° |
C4 | C5 | C7 | 111.6° | 109.5° |
C4 | C5 | N | 111.2° | 109.7° |
C5 | C4 | H4 | 109.6° | 109.6° |
C4 | C5 | H5 | 106.6° | 109.5° |
C7 | C5 | N | 108.8° | 109.4° |
C5 | C7 | O7 | 104.5° | 109.5° |
C7 | C5 | H5 | 109.1° | 109.4° |
C5 | C7 | H71C | 111.2° | 109.5° |
C5 | C7 | H72C | 112.2° | 109.5° |
C5 | N | C1 | 114.7° | 109.8° |
N | C5 | H5 | 109.6° | 109.4° |
C5 | N | HN1 | 107.8° | 109.3° |
C5 | N | HN2 | 106.6° | 109.5° |
O7 | C7 | H71C | 111.2° | 109.5° |
O7 | C7 | H72C | 112.2° | 109.5° |
C7 | O7 | H7 | 109.5° | 114.0° |
N | C1 | C6 | 112.1° | 109.4° |
N | C1 | H1 | 110.1° | 109.4° |
C1 | N | HN1 | 107.8° | 109.4° |
C1 | N | HN2 | 106.6° | 109.4° |
C1 | C6 | O6 | 106.3° | 109.5° |
C6 | C1 | H1 | 103.1° | 109.4° |
C1 | C6 | H61C | 110.6° | 109.5° |
C1 | C6 | H62C | 111.2° | 109.5° |
O6 | C6 | H61C | 110.5° | 109.4° |
O6 | C6 | H62C | 111.2° | 109.4° |
C6 | O6 | H6 | 109.5° | 114.0° |
H71C | C7 | H72C | 105.7° | 109.4° |
HN1 | N | HN2 | 113.6° | 109.3° |
H61C | C6 | H62C | 107.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | C1 | 123.3° | 119.9° |
O2 | C2 | C3 | HA | 118.3° | 120.1° |
O2 | C2 | C1 | HA | 118.3° | 120.1° |
O2 | C2 | C3 | O3 | 55.6° | 63.3° |
O2 | C2 | C3 | C4 | 178.2° | 176.9° |
O2 | C2 | C1 | N | 177.7° | 179.9° |
O2 | C2 | C1 | C6 | 50.0° | 59.8° |
O2 | C2 | C3 | H3 | 63.3° | 56.9° |
O2 | C2 | C1 | H1 | 63.5° | 60.1° |
C3 | C2 | C1 | HA | 118.5° | 120.0° |
C2 | C3 | O3 | C4 | 121.2° | 119.6° |
C2 | C3 | O3 | H3 | 120.4° | 120.1° |
C2 | C3 | C4 | H3 | 120.4° | 119.9° |
C2 | C3 | C4 | O4 | 61.9° | 63.0° |
C2 | C3 | C4 | C5 | 58.5° | 56.9° |
C3 | C2 | C1 | N | 54.5° | 60.0° |
C3 | C2 | C1 | C6 | 73.2° | 60.1° |
C3 | C2 | O2 | H2 | 80.3° | 60.0° |
C3 | C2 | C1 | H1 | 173.3° | 180.0° |
C2 | C3 | O3 | HB | 102.7° | 180.0° |
C2 | C3 | C4 | H4 | 178.4° | 176.9° |
C1 | C2 | C3 | O3 | 178.8° | 176.8° |
C1 | C2 | C3 | C4 | 58.5° | 57.0° |
C2 | C1 | N | C5 | 53.9° | 63.1° |
C2 | C1 | N | C6 | 129.6° | 120.1° |
C2 | C1 | N | H1 | 116.3° | 120.1° |
C2 | C1 | C6 | H1 | 115.3° | 119.9° |
C2 | C1 | C6 | O6 | 176.3° | 178.2° |
C1 | C2 | O2 | H2 | 42.8° | 179.8° |
C1 | C2 | C3 | H3 | 60.0° | 63.0° |
C2 | C1 | N | HN1 | 66.0° | 56.9° |
C2 | C1 | N | HN2 | 171.6° | 176.7° |
C2 | C1 | C6 | H61C | 63.7° | 61.8° |
C2 | C1 | C6 | H62C | 55.1° | 58.3° |
O3 | C3 | C4 | H3 | 118.8° | 120.2° |
O3 | C3 | C4 | O4 | 59.0° | 56.9° |
O3 | C3 | C4 | C5 | 179.3° | 176.8° |
O3 | C3 | C2 | HA | 62.8° | 56.8° |
O3 | C3 | C4 | H4 | 60.7° | 63.2° |
C3 | C4 | O4 | C5 | 121.0° | 119.8° |
C3 | C4 | O4 | H4 | 119.1° | 120.1° |
C3 | C4 | C5 | H4 | 119.1° | 120.0° |
C3 | C4 | C5 | C7 | 178.2° | 180.0° |
C3 | C4 | C5 | N | 56.6° | 59.9° |
C4 | C3 | C2 | HA | 59.9° | 63.0° |
C4 | C3 | O3 | HB | 136.1° | 60.4° |
C3 | C4 | O4 | HC | 32.9° | 60.0° |
C3 | C4 | C5 | H5 | 62.8° | 60.0° |
O4 | C4 | C5 | H4 | 119.8° | 120.1° |
O4 | C4 | C5 | C7 | 57.1° | 60.1° |
O4 | C4 | C5 | N | 64.5° | 60.0° |
O4 | C4 | C3 | H3 | 177.8° | 177.1° |
O4 | C4 | C5 | H5 | 176.1° | 179.9° |
C4 | C5 | C7 | N | 123.0° | 120.2° |
C4 | C5 | C7 | H5 | 117.5° | 120.0° |
C4 | C5 | N | H5 | 117.5° | 120.0° |
C4 | C5 | C7 | O7 | 178.6° | 55.0° |
C4 | C5 | N | C1 | 55.1° | 63.1° |
C5 | C4 | C3 | H3 | 61.9° | 63.0° |
C5 | C4 | O4 | HC | 153.9° | 179.8° |
C4 | C5 | C7 | H71C | 61.4° | 65.0° |
C4 | C5 | C7 | H72C | 56.7° | 175.0° |
C4 | C5 | N | HN1 | 64.9° | 57.0° |
C4 | C5 | N | HN2 | 172.8° | 176.7° |
C7 | C5 | N | H5 | 119.2° | 119.9° |
C5 | C7 | O7 | H71C | 120.0° | 120.0° |
C5 | C7 | O7 | H72C | 121.9° | 120.1° |
C7 | C5 | N | C1 | 178.4° | 176.8° |
C7 | C5 | C4 | H4 | 62.7° | 60.0° |
C5 | C7 | H71C | H72C | 122.0° | 120.0° |
C7 | C5 | N | HN1 | 58.4° | 63.1° |
C7 | C5 | N | HN2 | 63.9° | 56.7° |
C5 | C7 | O7 | H7 | 120.3° | 180.0° |
N | C5 | C7 | O7 | 58.4° | 65.2° |
C5 | N | C1 | HN1 | 120.0° | 120.0° |
C5 | N | C1 | HN2 | 117.7° | 120.2° |
C5 | N | C1 | C6 | 75.7° | 57.0° |
C5 | N | C1 | H1 | 170.2° | 176.8° |
N | C5 | C4 | H4 | 175.7° | 179.9° |
N | C5 | C7 | H71C | 61.6° | 174.8° |
N | C5 | C7 | H72C | 179.8° | 54.8° |
C5 | N | HN1 | HN2 | 117.9° | 119.8° |
O7 | C7 | C5 | H5 | 61.1° | 175.0° |
O7 | C7 | H71C | H72C | 122.0° | 120.0° |
N | C1 | C6 | H1 | 118.3° | 119.9° |
N | C1 | C6 | O6 | 57.3° | 61.6° |
N | C1 | C2 | HA | 63.9° | 60.0° |
C1 | N | C5 | H5 | 62.4° | 57.0° |
C1 | N | HN1 | HN2 | 117.9° | 119.8° |
N | C1 | C6 | H61C | 62.7° | 58.4° |
N | C1 | C6 | H62C | 178.6° | 178.4° |
C1 | C6 | O6 | H61C | 120.0° | 120.0° |
C1 | C6 | O6 | H62C | 121.2° | 120.0° |
C6 | C1 | C2 | HA | 168.4° | 179.9° |
C6 | C1 | N | HN1 | 164.3° | 177.0° |
C6 | C1 | N | HN2 | 42.0° | 63.2° |
C1 | C6 | H61C | H62C | 121.3° | 120.1° |
C1 | C6 | O6 | H6 | 1.2° | 180.0° |
O6 | C6 | C1 | H1 | 61.0° | 58.3° |
O6 | C6 | H61C | H62C | 121.3° | 119.9° |
H2 | O2 | C2 | HA | 161.2° | 60.1° |
HA | C2 | C3 | H3 | 178.4° | 177.0° |
HA | C2 | C1 | H1 | 54.8° | 60.0° |
H3 | C3 | O3 | HB | 17.7° | 59.9° |
H3 | C3 | C4 | H4 | 58.0° | 57.0° |
H1 | C1 | N | HN1 | 50.2° | 63.1° |
H1 | C1 | N | HN2 | 72.1° | 56.6° |
H1 | C1 | C6 | H61C | 179.0° | 178.3° |
H1 | C1 | C6 | H62C | 60.2° | 61.7° |
H4 | C4 | O4 | HC | 86.2° | 60.1° |
H4 | C4 | C5 | H5 | 56.4° | 59.9° |
H5 | C5 | C7 | H71C | 178.9° | 55.0° |
H5 | C5 | C7 | H72C | 60.8° | 65.0° |
H5 | C5 | N | HN1 | 177.6° | 177.0° |
H5 | C5 | N | HN2 | 55.3° | 63.2° |
H71C | C7 | O7 | H7 | 119.7° | 60.0° |
H72C | C7 | O7 | H7 | 1.6° | 59.9° |
H61C | C6 | O6 | H6 | 118.8° | 60.0° |
H62C | C6 | O6 | H6 | 122.4° | 60.0° |