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2-Azetidinemethanamine |
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ID: API-28960 CAS:103550-76-1 Supplier:APIchem SMILES:N1C(CC1)CN ChemMol.com FORMULA: C4H10N2
MASS: 86.1356
EXACT MASS: 86.0843983
INTERATOMIC DISTANCES
N 1 N 2 C 3 C 4 C 5 C 6
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N 1 0.0000
N 2 2.7103 0.0000
C 3 1.0000 1.7320 0.0000
C 4 1.4142 2.2128 1.0000 0.0000
C 5 1.0000 3.0401 1.4142 1.0000 0.0000
C 6 1.8478 1.0000 1.0000 1.8478 2.4142 0.0000
H 7 0.9538 1.9144 0.6200 1.5906 1.7480 0.9539
H 8 1.9038 2.6602 1.6200 0.6200 1.1766 2.4322
H 9 1.9038 1.7906 1.1766 0.6200 1.6200 1.7093
H 10 1.1766 3.5974 1.9038 1.6200 0.6200 2.8861
H 11 1.6200 3.3798 1.9038 1.1766 0.6200 2.8861
H 12 0.6200 3.1114 1.5037 2.0342 1.5037 2.1623
H 13 2.3426 1.0812 1.5967 2.4673 3.0043 0.6200
H 14 1.6023 1.5967 1.0812 2.0723 2.3860 0.6200
H 15 3.2353 0.6200 2.2900 2.8315 3.6387 1.4157
H 16 2.8375 0.6200 1.8397 2.0207 2.9581 1.4158
H 7 H 8 H 9 H 10 H 11 H 12
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H 7 0.0000
H 8 2.2056 0.0000
H 9 1.7913 0.8768 0.0000
H 10 2.0942 1.7346 2.2400 0.0000
H 11 2.3217 1.0000 1.7346 0.8768 0.0000
H 12 1.2086 2.5112 2.5112 1.4498 2.1046 0.0000
H 13 1.3929 3.0472 2.2957 3.4426 3.4962 2.5468
H 14 0.6562 2.6901 2.1052 2.7503 2.9385 1.7526
H 15 2.3696 3.2774 2.4050 4.1813 3.9955 3.5780
H 16 2.1935 2.3497 1.4812 3.5564 3.1918 3.3245
H 13 H 14 H 15 H 16
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H 13 0.0000
H 14 0.7971 0.0000
H 15 1.2046 1.9203 0.0000
H 16 1.6621 2.0354 1.0739 0.0000
ATOMIC CHARGES
N 1 -0.3119568887
N 2 -0.3285079485
C 3 0.0210507652
C 4 -0.0237752654
C 5 -0.0023611832
C 6 0.0085617671
H 7 0.0473080608
H 8 0.0292901505
H 9 0.0292901505
H 10 0.0424565168
H 11 0.0424565168
H 12 0.1222411389
H 13 0.0437048515
H 14 0.0437048515
H 15 0.1182682581
H 16 0.1182682581
BOND ANGLES
5 1 3 C3 N3 C3 90.000
1 3 4 N3 C3 C3 90.000
1 3 6 N3 C3 C3 135.000
1 3 7 N3 C3 HC 67.497
12 1 3 HC N3 C3 135.000
1 3 4 N3 C3 C3 90.000
1 3 6 N3 C3 C3 135.000
1 3 7 N3 C3 HC 67.497
3 1 5 C3 N3 C3 90.000
1 5 10 N3 C3 HC 90.000
1 5 11 N3 C3 HC 179.974
12 1 5 HC N3 C3 135.000
1 5 10 N3 C3 HC 90.000
1 5 11 N3 C3 HC 179.974
3 1 12 C3 N3 HC 135.000
5 1 12 C3 N3 HC 135.000
15 2 6 HC N3 C3 120.001
2 6 13 N3 C3 HC 80.001
2 6 14 N3 C3 HC 160.002
16 2 6 HC N3 C3 120.002
2 6 13 N3 C3 HC 80.001
2 6 14 N3 C3 HC 160.002
6 2 15 C3 N3 HC 120.001
16 2 15 HC N3 HC 119.998
6 2 16 C3 N3 HC 120.002
15 2 16 HC N3 HC 119.998
6 3 4 C3 C3 C3 135.000
3 4 5 C3 C3 C3 90.000
3 4 8 C3 C3 HC 179.974
3 4 9 C3 C3 HC 90.000
7 3 4 HC C3 C3 157.497
3 4 5 C3 C3 C3 90.000
3 4 8 C3 C3 HC 179.974
3 4 9 C3 C3 HC 90.000
4 3 6 C3 C3 C3 135.000
3 6 13 C3 C3 HC 159.998
3 6 14 C3 C3 HC 79.997
7 3 6 HC C3 C3 67.503
3 6 13 C3 C3 HC 159.998
3 6 14 C3 C3 HC 79.997
4 3 7 C3 C3 HC 157.497
6 3 7 C3 C3 HC 67.503
8 4 5 HC C3 C3 90.000
4 5 10 C3 C3 HC 179.974
4 5 11 C3 C3 HC 90.000
9 4 5 HC C3 C3 179.974
4 5 10 C3 C3 HC 179.974
4 5 11 C3 C3 HC 90.000
5 4 8 C3 C3 HC 90.000
9 4 8 HC C3 HC 90.000
5 4 9 C3 C3 HC 179.974
8 4 9 HC C3 HC 90.000
11 5 10 HC C3 HC 90.000
10 5 11 HC C3 HC 90.000
14 6 13 HC C3 HC 80.001
13 6 14 HC C3 HC 80.001
TORSION ANGLES
5 1 3 4 0.026
5 1 3 6 179.974
5 1 3 7 179.974
12 1 3 4 179.974
12 1 3 6 0.026
12 1 3 7 0.026
3 1 5 4 0.026
3 1 5 10 179.974
3 1 5 11 180.000
12 1 5 4 179.974
12 1 5 10 0.026
12 1 5 11 180.000
15 2 6 3 179.974
15 2 6 13 0.026
15 2 6 14 0.026
16 2 6 3 0.026
16 2 6 13 179.974
16 2 6 14 179.974
1 3 4 5 0.026
1 3 4 8 180.000
1 3 4 9 179.974
6 3 4 5 179.974
6 3 4 8 180.000
6 3 4 9 0.026
7 3 4 5 0.026
7 3 4 8 180.000
7 3 4 9 179.974
1 3 6 2 179.974
1 3 6 13 0.026
1 3 6 14 0.026
4 3 6 2 0.026
4 3 6 13 179.974
4 3 6 14 179.974
7 3 6 2 179.974
7 3 6 13 0.026
7 3 6 14 0.026
3 4 5 1 0.026
3 4 5 10 180.000
3 4 5 11 179.974
8 4 5 1 179.974
8 4 5 10 180.000
8 4 5 11 0.026
9 4 5 1 180.000
9 4 5 10 180.000
9 4 5 11 180.000
CHIRAL ATOMS
C 3 is chiral: counterclockwise
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