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7-amino-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
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ID: Cs00368
Supplier:Clousem SMILES:c1(cnc2c(c1)NC(=O)CN2)N FORMULA: C7H8N4O
MASS: 164.1646
EXACT MASS: 164.0698109
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 3.0460 2.6379 1.5230 0.0000
N 7 1.5230 2.6379 4.0295 4.5690 4.0295 2.6379
N 8 4.5689 4.0294 2.6379 1.5230 2.6379 4.0295
C 9 5.4912 5.2758 4.0295 2.6379 3.0460 4.5690
C 10 5.2758 5.4912 4.5690 3.0460 2.6379 4.0295
N 11 4.0294 4.5689 4.0295 2.6379 1.5230 2.6379
O 12 6.6385 6.9792 6.0920 4.5689 4.0294 5.2758
N 7 N 8 C 9 C 10 N 11 O 12
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N 7 0.0000
N 8 6.0920 0.0000
C 9 6.9793 1.5230 0.0000
C 10 6.6386 2.6379 1.5230 0.0000
N 11 5.2758 3.0460 2.6379 1.5230 0.0000
O 12 7.9137 4.0295 2.6379 1.5230 2.6379 0.0000
ATOMIC CHARGES
C 1 0.1095907562
C 2 0.1184226390
N 3 -0.2249492725
C 4 0.1634662727
C 5 0.1076783695
C 6 0.0391161892
N 7 -0.1263821093
N 8 -0.2092443270
C 9 0.2004229170
C 10 0.2677129426
N 11 -0.1747851589
O 12 -0.2710492184
BOND ANGLES
7 1 2 Npl Car Car 119.999
1 2 3 Car Car Nar 120.001
8 4 5 Npl Car Car 120.001
4 5 6 Car Car Car 119.999
2 1 7 Car Car Npl 119.999
5 4 8 Car Car Npl 120.001
4 8 9 Car Npl C3 120.000
12 10 11 O2 C2 Nam 120.000
10 11 5 C2 Nam Car 120.000
11 10 12 Nam C2 O2 120.000
TORSION ANGLES
6 1 2 3 0.026
7 1 2 3 179.974
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 8 179.974
3 4 5 6 0.026
3 4 5 11 179.974
8 4 5 6 179.974
8 4 5 11 0.026
4 5 6 1 0.026
11 5 6 1 179.974
5 6 1 2 0.026
5 6 1 7 179.974
3 4 8 9 179.974
5 4 8 9 0.026
4 8 9 10 0.026
8 9 10 11 0.026
8 9 10 12 179.974
9 10 11 5 0.026
12 10 11 5 179.974
10 11 5 4 0.026
10 11 5 6 179.974
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