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benzo[d]oxazol-4-amine
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ID: Cs00324
CAS:163808-09-1 Supplier:Clousem SMILES:c1ccc2c(c1N)nco2 FORMULA: C7H6N2O
MASS: 134.1353
EXACT MASS: 134.0480128
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
C 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
O 7 4.5468 4.1134 2.7827 1.5230 2.4643 3.9051
C 8 5.0395 5.0395 3.9667 2.4643 2.4643 3.9667
N 9 4.1134 4.5468 3.9051 2.4643 1.5231 2.7827
N 10 2.6380 4.0296 4.5691 4.0296 2.6380 1.5231
O 7 C 8 N 9 N 10
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O 7 0.0000
C 8 1.5230 0.0000
N 9 2.4643 1.5231 0.0000
N 10 5.0953 4.7638 3.3090 0.0000
ATOMIC CHARGES
C 1 0.0197988266
C 2 0.0046180407
C 3 0.0392142576
C 4 0.1662214613
C 5 0.1356246746
C 6 0.1097412819
O 7 -0.4311221254
C 8 0.2851416636
N 9 -0.2028652796
N 10 -0.1263728012
BOND ANGLES
7 4 5 O2 Car Car 107.998
4 5 6 Car Car Car 119.999
10 6 1 Npl Car Car 120.001
6 1 2 Car Car Car 120.001
5 4 7 Car Car O2 107.998
4 7 8 Car O2 Car 108.002
1 6 10 Car Car Npl 120.001
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 7 179.974
3 4 5 6 0.026
3 4 5 9 179.974
7 4 5 6 179.974
7 4 5 9 0.026
4 5 6 1 0.026
4 5 6 10 179.974
9 5 6 1 179.974
9 5 6 10 0.026
5 6 1 2 0.026
10 6 1 2 179.974
3 4 7 8 179.974
5 4 7 8 0.026
4 7 8 9 0.026
7 8 9 5 0.026
8 9 5 4 0.026
8 9 5 6 179.974
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