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tert-butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate
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ID: Cs00319
CAS:885272-17-3 Supplier:Clousem SMILES:C1CN(CC2(C1)CNC2)C(=O)OC(C)(C)C FORMULA: C12H22N2O2
MASS: 226.3153
EXACT MASS: 226.1681280
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
N 3 2.6379 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 2.6379 3.0460 2.6379 1.5230 0.0000
C 6 1.5230 2.6379 3.0459 2.6379 1.5230 0.0000
C 7 4.1279 4.2612 3.3701 1.8543 1.5230 3.0199
N 8 4.6302 5.1999 4.6302 3.1999 2.1539 3.1998
C 9 3.3702 4.2613 4.1279 3.0199 1.5230 1.8543
O 10 5.2759 4.0295 2.6380 3.0461 4.5690 5.4913
C 11 6.6386 5.2759 4.0295 4.5690 6.0920 6.9793
C 12 8.0589 6.6386 5.4913 6.0920 7.6150 8.4797
C 13 6.1932 4.7031 3.8130 4.8162 6.2795 6.8565
C 14 7.3774 6.1797 4.7512 4.8162 6.2795 7.4194
C 15 4.0295 2.6380 1.5230 2.6379 4.0294 4.5690
O 16 4.5690 3.0460 2.6379 4.0294 5.2758 5.4912
C 7 N 8 C 9 O 10 C 11 C 12
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C 7 0.0000
N 8 1.5230 0.0000
C 9 2.1538 1.5230 0.0000
O 10 4.4265 5.9462 6.0530 0.0000
C 11 5.8847 7.4077 7.5734 1.5230 0.0000
C 12 7.3692 8.8899 9.0947 3.0459 1.5230 0.0000
C 13 6.4366 7.9294 7.8024 2.1538 1.5230 2.1538
C 14 5.6981 7.1772 7.6469 2.1538 1.5230 2.1538
C 15 4.4085 5.8307 5.5496 1.5230 2.6379 4.0294
O 16 5.8577 7.2219 6.7584 2.6379 3.0460 4.0294
C 13 C 14 C 15 O 16
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C 13 0.0000
C 14 3.0459 0.0000
C 15 2.2936 3.6463 0.0000
O 16 1.8875 4.4308 1.5230 0.0000
ATOMIC CHARGES
C 1 0.0217662465
C 2 0.0967255155
N 3 -0.2459310333
C 4 0.0994007239
C 5 0.0506552642
C 6 0.0062003979
C 7 0.0916565201
N 8 -0.2178428505
C 9 0.0916565201
O 10 -0.4417880799
C 11 0.1378299069
C 12 0.0437415187
C 13 0.0437415187
C 14 0.0437415187
C 15 0.4046433727
O 16 -0.2261970601
BOND ANGLES
15 3 4 C2 Nam C3 119.997
3 4 5 Nam C3 C3 119.999
7 5 6 C3 C3 C3 165.000
5 6 1 C3 C3 C3 120.001
6 5 7 C3 C3 C3 165.000
5 7 8 C3 C3 N3 90.002
4 3 15 C3 Nam C2 119.997
3 15 16 Nam C2 O2 119.997
15 10 11 C2 O3 C3 120.003
10 11 12 O3 C3 C3 179.974
10 11 13 O3 C3 C3 90.000
10 11 14 O3 C3 C3 90.000
13 11 12 C3 C3 C3 90.000
14 11 12 C3 C3 C3 90.000
12 11 13 C3 C3 C3 90.000
14 11 13 C3 C3 C3 179.974
12 11 14 C3 C3 C3 90.000
13 11 14 C3 C3 C3 179.974
11 10 15 C3 O3 C2 120.003
10 15 16 O3 C2 O2 119.998
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
1 2 3 15 179.974
2 3 4 5 0.026
15 3 4 5 179.974
3 4 5 6 0.026
3 4 5 7 179.974
3 4 5 9 179.974
4 5 6 1 0.026
7 5 6 1 179.974
9 5 6 1 179.974
5 6 1 2 0.026
4 5 7 8 179.974
6 5 7 8 0.026
9 5 7 8 0.026
5 7 8 9 0.026
7 8 9 5 0.026
8 9 5 4 0.026
8 9 5 6 179.974
8 9 5 7 0.026
2 3 15 16 0.026
2 3 15 10 179.974
4 3 15 16 179.974
4 3 15 10 0.026
15 10 11 12 0.026
15 10 11 13 0.026
15 10 11 14 179.974
11 10 15 3 179.974
11 10 15 16 0.026
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