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Dimethylaminoethyl acrylate |
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ID: API-45753 CAS:2439-35-2 Supplier:APIchem SMILES:O(CCN(C)C)C(=O)C=C ChemMol.com FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
INTERATOMIC DISTANCES
O 1 O 2 N 3 C 4 C 5 C 6
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O 1 0.0000
O 2 1.7321 0.0000
N 3 2.6458 3.6056 0.0000
C 4 1.7320 3.0000 1.0001 0.0000
C 5 1.0000 2.0000 1.7321 1.0000 0.0000
C 6 3.4641 4.5826 1.0000 1.7321 2.6458 0.0000
C 7 3.0000 3.4642 1.0000 1.7321 2.0000 1.7320
C 8 1.0001 1.0000 3.4642 2.6458 1.7321 4.3590
C 9 1.7321 1.7320 4.3590 3.4641 2.6458 5.1962
C 10 2.6458 2.0000 5.1962 4.3589 3.4641 6.0828
H 11 2.1829 3.5890 1.0813 0.6201 1.5968 1.4156
H 12 1.4156 2.9562 1.5968 0.6200 1.0813 2.1829
H 13 1.0812 1.4333 2.1829 1.5967 0.6199 3.1512
H 14 1.5967 2.1944 1.4156 1.0812 0.6199 2.4060
H 15 3.8121 4.7391 1.1766 2.1115 2.9083 0.6200
H 16 4.0130 5.1928 1.6199 2.2901 3.2380 0.6200
H 17 3.1995 4.5068 1.1766 1.5201 2.5121 0.6200
H 18 2.4825 2.8442 1.1766 1.5201 1.4956 2.1114
H 19 3.3533 3.5192 1.6200 2.2901 2.3716 2.2901
H 20 3.5505 4.0842 1.1766 2.1115 2.5559 1.5200
H 21 1.8397 2.2901 4.4727 3.5191 2.8292 5.2331
H 22 3.1408 2.6199 5.7415 4.8707 4.0130 6.6018
H 23 2.8292 1.7732 5.2331 4.4726 3.5191 6.1648
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 3.6056 0.0000
C 9 4.5826 1.0000 0.0000
C 10 5.2915 1.7320 1.0000 0.0000
H 11 2.0296 3.1513 3.8918 4.8282 0.0000
H 12 2.3452 2.4060 3.1022 4.0507 0.7971 0.0000
H 13 2.1944 1.4156 2.4060 3.1022 2.2064 1.6888
H 14 1.4333 2.1829 3.1512 3.8917 1.6889 1.4515
H 15 1.5200 4.6403 5.5323 6.3723 1.9300 2.6421
H 16 2.2900 4.9340 5.7415 6.6486 1.8777 2.6726
H 17 2.1114 4.1518 4.9156 5.8449 1.0254 1.8217
H 18 0.6200 3.0149 4.0019 4.6842 1.9809 2.0775
H 19 0.6200 3.8243 4.8213 5.4429 2.6368 2.8867
H 20 0.6200 4.2048 5.1725 5.9015 2.2546 2.7299
H 21 4.8213 1.4158 0.6200 1.4158 3.8654 3.0690
H 22 5.8809 2.2900 1.4157 0.6200 5.3074 4.5177
H 23 5.2101 1.8396 1.4158 0.6200 4.9905 4.2428
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.7970 0.0000
H 15 3.3355 2.5475 0.0000
H 16 3.7599 3.0231 0.8768 0.0000
H 17 3.0828 2.4199 1.2399 0.8768 0.0000
H 18 1.5993 0.8860 2.0379 2.7144 2.3520 0.0000
H 19 2.4188 1.7578 1.9721 2.8059 2.7145 0.8768
H 20 2.8003 2.0229 1.1121 1.9721 2.0379 1.2400
H 21 2.7170 3.3946 5.6264 5.7415 4.8869 4.2732
H 22 3.6870 4.4690 6.9178 7.1535 6.3310 5.2782
H 23 3.0690 3.8653 6.3988 6.7523 5.9861 4.5920
H 19 H 20 H 21 H 22 H 23
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H 19 0.0000
H 20 0.8768 0.0000
H 21 5.1243 5.3851 0.0000
H 22 6.0492 6.4868 1.6199 0.0000
H 23 5.2915 5.8286 1.9436 1.0739 0.0000
ATOMIC CHARGES
O 1 -0.4602837199
O 2 -0.2456445219
N 3 -0.3051381978
C 4 0.0326399615
C 5 0.1054059280
C 6 -0.0129292932
C 7 -0.0129292932
C 8 0.3314104106
C 9 0.0154195568
C 10 -0.0919410873
H 11 0.0459622401
H 12 0.0459622401
H 13 0.0710363409
H 14 0.0710363409
H 15 0.0390532394
H 16 0.0390532394
H 17 0.0390532394
H 18 0.0390532394
H 19 0.0390532394
H 20 0.0390532394
H 21 0.0682829215
H 22 0.0536953682
H 23 0.0536953682
BOND ANGLES
8 1 5 C2 O3 C3 120.001
1 5 13 O3 C3 HC 80.000
1 5 14 O3 C3 HC 160.002
5 1 8 C3 O3 C2 120.001
1 8 9 O3 C2 C2 120.001
6 3 4 C3 N3 C3 120.001
3 4 5 N3 C3 C3 120.001
3 4 11 N3 C3 HC 79.996
3 4 12 N3 C3 HC 159.993
7 3 4 C3 N3 C3 119.998
3 4 5 N3 C3 C3 120.001
3 4 11 N3 C3 HC 79.996
3 4 12 N3 C3 HC 159.993
4 3 6 C3 N3 C3 120.001
3 6 15 N3 C3 HC 90.001
3 6 16 N3 C3 HC 179.974
3 6 17 N3 C3 HC 89.999
7 3 6 C3 N3 C3 120.001
3 6 15 N3 C3 HC 90.001
3 6 16 N3 C3 HC 179.974
3 6 17 N3 C3 HC 89.999
4 3 7 C3 N3 C3 119.998
3 7 18 N3 C3 HC 90.000
3 7 19 N3 C3 HC 179.974
3 7 20 N3 C3 HC 90.000
6 3 7 C3 N3 C3 120.001
3 7 18 N3 C3 HC 90.000
3 7 19 N3 C3 HC 179.974
3 7 20 N3 C3 HC 90.000
11 4 5 HC C3 C3 160.003
4 5 13 C3 C3 HC 160.002
4 5 14 C3 C3 HC 80.000
12 4 5 HC C3 C3 80.006
4 5 13 C3 C3 HC 160.002
4 5 14 C3 C3 HC 80.000
5 4 11 C3 C3 HC 160.003
12 4 11 HC C3 HC 79.997
5 4 12 C3 C3 HC 80.006
11 4 12 HC C3 HC 79.997
14 5 13 HC C3 HC 80.002
13 5 14 HC C3 HC 80.002
16 6 15 HC C3 HC 90.000
17 6 15 HC C3 HC 179.974
15 6 16 HC C3 HC 90.000
17 6 16 HC C3 HC 90.000
15 6 17 HC C3 HC 179.974
16 6 17 HC C3 HC 90.000
19 7 18 HC C3 HC 90.000
20 7 18 HC C3 HC 179.974
18 7 19 HC C3 HC 90.000
20 7 19 HC C3 HC 90.000
18 7 20 HC C3 HC 179.974
19 7 20 HC C3 HC 90.000
21 9 10 HC C2 C2 120.001
9 10 22 C2 C2 HC 119.998
9 10 23 C2 C2 HC 120.001
10 9 21 C2 C2 HC 120.001
23 10 22 HC C2 HC 120.002
22 10 23 HC C2 HC 120.002
TORSION ANGLES
8 1 5 4 179.974
8 1 5 13 0.026
8 1 5 14 0.026
5 1 8 2 0.026
5 1 8 9 179.974
6 3 4 5 179.974
6 3 4 11 0.026
6 3 4 12 0.026
7 3 4 5 0.026
7 3 4 11 179.974
7 3 4 12 179.974
4 3 6 15 179.974
4 3 6 16 0.026
4 3 6 17 0.026
7 3 6 15 0.026
7 3 6 16 179.974
7 3 6 17 179.974
4 3 7 18 0.026
4 3 7 19 180.000
4 3 7 20 179.974
6 3 7 18 179.974
6 3 7 19 180.000
6 3 7 20 0.026
3 4 5 1 179.974
3 4 5 13 0.026
3 4 5 14 0.026
11 4 5 1 0.026
11 4 5 13 179.974
11 4 5 14 179.974
12 4 5 1 0.026
12 4 5 13 179.974
12 4 5 14 179.974
1 8 9 10 179.974
1 8 9 21 0.026
2 8 9 10 0.026
2 8 9 21 179.974
8 9 10 22 179.974
8 9 10 23 0.026
21 9 10 22 0.026
21 9 10 23 179.974
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