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tert-butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
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ID: Cs00290
CAS:923009-50-1 Supplier:Clousem SMILES:C1CN(C(=O)OC(C)(C)C)CC2(C1)C(=O)NCC2 FORMULA: C13H22N2O3
MASS: 254.3254
EXACT MASS: 254.1630426
INTERATOMIC DISTANCES
C 1 C 2 N 3 O 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
O 4 5.2758 4.0295 2.6379 0.0000
C 5 6.6386 5.2759 4.0295 1.5230 0.0000
C 6 6.1932 4.7031 3.8130 2.1539 1.5230 0.0000
C 7 7.3774 6.1798 4.7512 2.1539 1.5230 3.0460
C 8 8.0589 6.6386 5.4912 3.0460 1.5230 2.1538
C 9 4.0295 2.6380 1.5230 1.5230 2.6379 2.2936
O 10 4.5690 3.0461 2.6379 2.6379 3.0460 1.8875
C 11 3.0460 2.6379 1.5230 3.0460 4.5690 4.8162
C 12 2.6379 3.0460 2.6379 4.5690 6.0921 6.2796
C 13 1.5230 2.6379 3.0460 5.4912 6.9793 6.8566
C 14 4.0766 4.1293 3.1809 4.1874 5.6466 6.2002
N 15 5.0742 5.4431 4.6616 5.6240 7.0305 7.6870
C 16 4.6615 5.4431 5.0742 6.6093 8.0931 8.5347
C 17 3.1809 4.1293 4.0766 6.0857 7.6084 7.7905
O 18 4.8306 4.3852 3.0319 2.9946 4.3336 5.1286
C 7 C 8 C 9 O 10 C 11 C 12
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C 7 0.0000
C 8 2.1538 0.0000
C 9 3.6463 4.0294 0.0000
O 10 4.4308 4.0294 1.5230 0.0000
C 11 4.8162 6.0920 2.6379 4.0295 0.0000
C 12 6.2796 7.6150 4.0295 5.2759 1.5230 0.0000
C 13 7.4194 8.4797 4.5690 5.4913 2.6379 1.5230
C 14 5.4742 7.1325 4.1844 5.6421 1.6590 1.5231
N 15 6.6638 8.4772 5.7069 7.1628 3.1548 2.4642
C 16 7.9244 9.5891 6.3722 7.7033 3.7377 2.4642
C 17 7.7280 9.1310 5.5237 6.6959 3.0418 1.5230
O 18 3.9872 5.7646 3.4708 4.9937 1.8057 2.7140
C 13 C 14 N 15 C 16 C 17 O 18
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C 13 0.0000
C 14 3.0418 0.0000
N 15 3.7376 1.5230 0.0000
C 16 3.1547 2.4643 1.5230 0.0000
C 17 1.6590 2.4643 2.4642 1.5229 0.0000
O 18 4.1716 1.5230 2.7140 3.9409 3.9409 0.0000
ATOMIC CHARGES
C 1 0.0221543503
C 2 0.0967500227
N 3 -0.2455418426
O 4 -0.4417879944
C 5 0.1378299074
C 6 0.0437415187
C 7 0.0437415187
C 8 0.0437415187
C 9 0.4046534013
O 10 -0.2261969230
C 11 0.1053318154
C 12 0.0905483632
C 13 0.0121599439
C 14 0.2421221317
N 15 -0.2053856456
C 16 0.1156799063
C 17 0.0337670534
O 18 -0.2733090460
BOND ANGLES
9 3 11 C2 Nam C3 119.999
3 11 12 Nam C3 C3 119.999
14 12 13 C2 C3 C3 174.002
12 13 1 C3 C3 C3 120.001
13 12 14 C3 C3 C2 174.002
12 14 15 C3 C2 Nam 107.996
12 14 18 C3 C2 O2 125.998
18 14 15 O2 C2 Nam 126.006
14 15 16 C2 Nam C3 108.003
15 14 18 Nam C2 O2 126.006
11 3 9 C3 Nam C2 119.999
3 9 10 Nam C2 O2 119.999
9 4 5 C2 O3 C3 120.000
4 5 6 O3 C3 C3 90.000
4 5 7 O3 C3 C3 90.002
4 5 8 O3 C3 C3 179.974
7 5 6 C3 C3 C3 179.974
8 5 6 C3 C3 C3 89.998
6 5 7 C3 C3 C3 179.974
8 5 7 C3 C3 C3 90.000
6 5 8 C3 C3 C3 89.998
7 5 8 C3 C3 C3 90.000
5 4 9 C3 O3 C2 120.000
4 9 10 O3 C2 O2 120.001
TORSION ANGLES
13 1 2 3 0.026
1 2 3 11 0.026
1 2 3 9 179.974
2 3 11 12 0.026
9 3 11 12 179.974
3 11 12 13 0.026
3 11 12 14 179.974
3 11 12 17 179.974
11 12 13 1 0.026
14 12 13 1 179.974
17 12 13 1 179.974
12 13 1 2 0.026
11 12 14 15 179.974
11 12 14 18 0.026
13 12 14 15 0.026
13 12 14 18 179.974
17 12 14 15 0.026
17 12 14 18 179.974
12 14 15 16 0.026
18 14 15 16 179.974
14 15 16 17 0.026
15 16 17 12 0.026
16 17 12 11 0.026
16 17 12 13 179.974
16 17 12 14 0.026
2 3 9 10 0.026
2 3 9 4 179.974
11 3 9 10 179.974
11 3 9 4 0.026
9 4 5 6 0.026
9 4 5 7 179.974
9 4 5 8 0.026
5 4 9 3 179.974
5 4 9 10 0.026
CHIRAL ATOMS
C 12 is chiral: counterclockwise
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