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N-(1-Cyclopenten-1-yl)morpholine |
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ID: API-42923 CAS:936-52-7 Supplier:APIchem SMILES:O1CCN(C2=CCCC2)CC1 ChemMol.com FORMULA: C9H15NO
MASS: 153.2215
EXACT MASS: 153.1153641
INTERATOMIC DISTANCES
O 1 N 2 C 3 C 4 C 5 C 6
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O 1 0.0000
N 2 2.0000 0.0000
C 3 3.0000 1.0000 0.0000
C 4 3.6779 1.7820 1.0000 0.0000
C 5 4.5663 2.5876 1.6180 0.9999 0.0000
C 6 1.7320 1.0000 1.7320 2.6767 3.3317 0.0000
C 7 1.7320 1.0000 1.7320 2.0886 3.0608 1.7320
C 8 4.5663 2.5876 1.6180 1.6180 1.0000 3.0608
C 9 3.6779 1.7820 1.0000 1.6180 1.6180 2.0886
C 10 1.0000 1.7320 2.6457 3.5129 4.2636 1.0000
C 11 1.0000 1.7320 2.6457 3.0883 4.0553 2.0000
H 12 3.2495 1.5350 1.1202 0.6201 1.6116 2.5190
H 13 4.0788 2.2972 1.6116 0.6200 1.1202 3.2402
H 14 4.7970 2.8880 2.0013 1.1201 0.6199 3.7316
H 15 5.1737 3.1853 2.1989 1.6116 0.6200 3.8801
H 16 2.0295 1.5968 2.1829 2.2948 3.2946 2.3451
H 17 2.3451 1.0812 1.4155 1.5290 2.5233 2.0294
H 18 2.3451 1.0813 1.4156 2.4139 2.9195 0.6200
H 19 2.0295 1.5968 2.1829 3.1693 3.7158 0.6200
H 20 5.1737 3.1853 2.1989 2.0014 1.1202 3.6807
H 21 4.7971 2.8881 2.0014 2.1989 1.6117 3.1768
H 22 3.6729 1.9763 1.4537 2.2160 2.2160 1.9696
H 23 1.0812 2.3451 3.2657 3.6802 4.6574 2.5067
H 24 1.5967 2.0296 2.8114 3.0541 4.0507 2.5068
H 25 1.5967 2.0296 2.8114 3.7557 4.4001 1.0813
H 26 1.0813 2.3451 3.2657 4.1271 4.8834 1.5967
C 7 C 8 C 9 C 10 C 11 H 12
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C 7 0.0000
C 8 3.3317 0.0000
C 9 2.6767 0.9999 0.0000
C 10 2.0000 4.0553 3.0883 0.0000
C 11 1.0000 4.2636 3.5129 1.7320 0.0000
H 12 1.5713 2.1989 2.0014 3.2322 2.5633 0.0000
H 13 2.3947 2.0014 2.1989 4.0223 3.3785 0.8297
H 14 3.1768 1.6116 2.1988 4.6109 4.1746 1.6169
H 15 3.6807 1.1202 2.0014 4.8338 4.6753 2.2129
H 16 0.6200 3.7158 3.1693 2.5068 1.0812 1.6966
H 17 0.6200 2.9194 2.4138 2.5067 1.5967 0.9691
H 18 2.0295 2.5233 1.5291 1.5967 2.5068 2.4010
H 19 2.3451 3.2946 2.2948 1.0812 2.5068 3.0802
H 20 3.8801 0.6200 1.6116 4.6753 4.8338 2.6163
H 21 3.7316 0.6200 1.1201 4.1746 4.6109 2.7509
H 22 2.9537 1.4537 0.6200 2.9448 3.6765 2.5413
H 23 1.5967 4.8834 4.1271 2.0294 0.6200 3.1337
H 24 1.0813 4.4001 3.7557 2.3451 0.6200 2.4692
H 25 2.5068 4.0507 3.0541 0.6200 2.3451 3.5646
H 26 2.5068 4.6574 3.6803 0.6200 2.0295 3.8269
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.8704 0.0000
H 15 1.6169 0.8297 0.0000
H 16 2.4497 3.2963 3.9045 0.0000
H 17 1.7823 2.5853 3.1393 0.7971 0.0000
H 18 3.0179 3.3845 3.4252 2.6463 2.1561 0.0000
H 19 3.7583 4.1713 4.2209 2.9532 2.6462 0.7971
H 20 2.2380 1.6169 0.8704 4.2209 3.4252 3.1393
H 21 2.6163 2.2129 1.6170 4.1714 3.3845 2.5853
H 22 2.8094 2.8093 2.5413 3.5047 2.8035 1.3522
H 23 3.9338 4.7504 5.2773 1.5278 2.1652 3.0556
H 24 3.2339 4.0769 4.6655 0.7847 1.5279 2.9499
H 25 4.3106 4.8121 4.9333 3.0557 2.9498 1.5279
H 26 4.6266 5.2285 5.4522 2.9499 3.0556 2.1652
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 3.9045 0.0000
H 21 3.2962 0.8298 0.0000
H 22 2.0054 2.0058 1.3046 0.0000
H 23 2.9498 5.4522 5.2285 4.2704 0.0000
H 24 3.0557 4.9333 4.8122 4.0055 0.7970 0.0000
H 25 0.7847 4.6655 4.0769 2.7897 2.6462 2.9532
H 26 1.5278 5.2773 4.7504 3.4935 2.1561 2.6463
H 25 H 26
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H 25 0.0000
H 26 0.7970 0.0000
ATOMIC CHARGES
O 1 -0.3766724760
N 2 -0.3289748192
C 3 0.0026108951
C 4 -0.0146782251
C 5 -0.0444118377
C 6 0.0354135728
C 7 0.0354135728
C 8 -0.0327127553
C 9 -0.0670648367
C 10 0.0633694996
C 11 0.0633694996
H 12 0.0325495167
H 13 0.0325495167
H 14 0.0271734655
H 15 0.0271734655
H 16 0.0486138346
H 17 0.0486138346
H 18 0.0486138346
H 19 0.0486138346
H 20 0.0307984836
H 21 0.0307984836
H 22 0.0587070504
H 23 0.0575331475
H 24 0.0575331475
H 25 0.0575331475
H 26 0.0575331475
BOND ANGLES
11 1 10 C3 O3 C3 119.999
1 10 25 O3 C3 HC 159.993
1 10 26 O3 C3 HC 80.004
10 1 11 C3 O3 C3 119.999
1 11 23 O3 C3 HC 79.995
1 11 24 O3 C3 HC 159.993
6 2 3 C3 Npl C2 120.001
2 3 4 Npl C2 C3 126.001
2 3 9 Npl C2 C2 126.001
7 2 3 C3 Npl C2 120.001
2 3 4 Npl C2 C3 126.001
2 3 9 Npl C2 C2 126.001
3 2 6 C2 Npl C3 120.001
2 6 10 Npl C3 C3 120.001
2 6 18 Npl C3 HC 80.004
2 6 19 Npl C3 HC 160.002
7 2 6 C3 Npl C3 119.999
2 6 10 Npl C3 C3 120.001
2 6 18 Npl C3 HC 80.004
2 6 19 Npl C3 HC 160.002
3 2 7 C2 Npl C3 120.001
2 7 11 Npl C3 C3 120.001
2 7 16 Npl C3 HC 160.002
2 7 17 Npl C3 HC 79.995
6 2 7 C3 Npl C3 119.999
2 7 11 Npl C3 C3 120.001
2 7 16 Npl C3 HC 160.002
2 7 17 Npl C3 HC 79.995
9 3 4 C2 C2 C3 107.997
3 4 5 C2 C3 C3 108.001
3 4 12 C2 C3 HC 83.996
3 4 13 C2 C3 HC 167.992
4 3 9 C3 C2 C2 107.997
3 9 22 C2 C2 HC 125.999
12 4 5 HC C3 C3 168.003
4 5 8 C3 C3 C3 108.000
4 5 14 C3 C3 HC 84.000
4 5 15 C3 C3 HC 167.999
13 4 5 HC C3 C3 84.007
4 5 8 C3 C3 C3 108.000
4 5 14 C3 C3 HC 84.000
4 5 15 C3 C3 HC 167.999
5 4 12 C3 C3 HC 168.003
13 4 12 HC C3 HC 83.996
5 4 13 C3 C3 HC 84.007
12 4 13 HC C3 HC 83.996
14 5 8 HC C3 C3 167.999
5 8 9 C3 C3 C2 108.000
5 8 20 C3 C3 HC 84.001
5 8 21 C3 C3 HC 168.001
15 5 8 HC C3 C3 84.001
5 8 9 C3 C3 C2 108.000
5 8 20 C3 C3 HC 84.001
5 8 21 C3 C3 HC 168.001
8 5 14 C3 C3 HC 167.999
15 5 14 HC C3 HC 83.999
8 5 15 C3 C3 HC 84.001
14 5 15 HC C3 HC 83.999
18 6 10 HC C3 C3 159.996
6 10 25 C3 C3 HC 80.006
6 10 26 C3 C3 HC 159.996
19 6 10 HC C3 C3 79.997
6 10 25 C3 C3 HC 80.006
6 10 26 C3 C3 HC 159.996
10 6 18 C3 C3 HC 159.996
19 6 18 HC C3 HC 79.999
10 6 19 C3 C3 HC 79.997
18 6 19 HC C3 HC 79.999
16 7 11 HC C3 C3 79.997
7 11 23 C3 C3 HC 160.004
7 11 24 C3 C3 HC 80.006
17 7 11 HC C3 C3 160.004
7 11 23 C3 C3 HC 160.004
7 11 24 C3 C3 HC 80.006
11 7 16 C3 C3 HC 79.997
17 7 16 HC C3 HC 80.007
11 7 17 C3 C3 HC 160.004
16 7 17 HC C3 HC 80.007
20 8 9 HC C3 C2 167.999
8 9 22 C3 C2 HC 126.000
21 8 9 HC C3 C2 83.999
8 9 22 C3 C2 HC 126.000
9 8 20 C2 C3 HC 167.999
21 8 20 HC C3 HC 84.001
9 8 21 C2 C3 HC 83.999
20 8 21 HC C3 HC 84.001
26 10 25 HC C3 HC 79.990
25 10 26 HC C3 HC 79.990
24 11 23 HC C3 HC 79.998
23 11 24 HC C3 HC 79.998
TORSION ANGLES
11 1 10 6 0.026
11 1 10 25 179.974
11 1 10 26 179.974
10 1 11 7 0.026
10 1 11 23 179.974
10 1 11 24 179.974
6 2 3 4 179.974
6 2 3 9 0.026
7 2 3 4 0.026
7 2 3 9 179.974
3 2 6 10 179.974
3 2 6 18 0.026
3 2 6 19 0.026
7 2 6 10 0.026
7 2 6 18 179.974
7 2 6 19 179.974
3 2 7 11 179.974
3 2 7 16 0.026
3 2 7 17 0.026
6 2 7 11 0.026
6 2 7 16 179.974
6 2 7 17 179.974
2 3 4 5 179.974
2 3 4 12 0.026
2 3 4 13 0.026
9 3 4 5 0.026
9 3 4 12 179.974
9 3 4 13 179.974
2 3 9 8 179.974
2 3 9 22 0.026
4 3 9 8 0.026
4 3 9 22 179.974
3 4 5 8 0.026
3 4 5 14 179.974
3 4 5 15 179.974
12 4 5 8 179.974
12 4 5 14 0.026
12 4 5 15 0.026
13 4 5 8 179.974
13 4 5 14 0.026
13 4 5 15 0.026
4 5 8 9 0.026
4 5 8 20 179.974
4 5 8 21 179.974
14 5 8 9 179.974
14 5 8 20 0.026
14 5 8 21 0.026
15 5 8 9 179.974
15 5 8 20 0.026
15 5 8 21 0.026
2 6 10 1 0.026
2 6 10 25 179.974
2 6 10 26 179.974
18 6 10 1 179.974
18 6 10 25 0.026
18 6 10 26 0.026
19 6 10 1 179.974
19 6 10 25 0.026
19 6 10 26 0.026
2 7 11 1 0.026
2 7 11 23 179.974
2 7 11 24 179.974
16 7 11 1 179.974
16 7 11 23 0.026
16 7 11 24 0.026
17 7 11 1 179.974
17 7 11 23 0.026
17 7 11 24 0.026
5 8 9 3 0.026
5 8 9 22 179.974
20 8 9 3 179.974
20 8 9 22 0.026
21 8 9 3 179.974
21 8 9 22 0.026
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