|
Benzyl-hydrazine dihydrochloride |
|
|
|
ID: API-9385 CAS:20570-96-1 Supplier:APIchem SMILES:N(N)Cc1ccccc1 ChemMol.com FORMULA: C7H10N2
MASS: 122.1677
EXACT MASS: 122.0843983
INTERATOMIC DISTANCES
N 1 N 2 C 3 C 4 C 5 C 6
------------------------------------------------------------------
N 1 0.0000
N 2 1.0000 0.0000
C 3 1.7320 2.6457 0.0000
C 4 1.0000 1.7320 1.0000 0.0000
C 5 2.0000 3.0000 1.0000 1.7320 0.0000
C 6 2.6457 3.4641 1.0000 1.7320 1.7320 0.0000
C 7 3.0000 4.0000 1.7320 2.6457 1.0000 2.0000
C 8 3.4641 4.3589 1.7320 2.6457 2.0000 1.0000
C 9 3.6055 4.5826 2.0000 3.0000 1.7320 1.7320
H 10 1.0812 1.4155 1.5967 0.6200 2.3451 2.1829
H 11 1.5968 2.1829 1.0812 0.6200 2.0295 1.4155
H 12 1.7733 2.7431 1.4158 1.8397 0.6201 2.2901
H 13 2.8291 3.5191 1.4157 1.8396 2.2900 0.6200
H 14 3.3533 4.3433 2.2901 3.1408 1.4158 2.6200
H 15 4.0130 4.8707 2.2900 3.1407 2.6199 1.4158
H 16 0.6201 1.4158 1.8397 1.4158 1.7733 2.8292
H 17 4.2100 5.1927 2.6200 3.6200 2.2901 2.2901
H 18 1.4158 0.6201 3.1408 2.2901 3.3533 4.0130
H 19 1.4158 0.6200 2.8292 1.8397 3.3533 3.5191
C 7 C 8 C 9 H 10 H 11 H 12
------------------------------------------------------------------
C 7 0.0000
C 8 1.7320 0.0000
C 9 1.0000 1.0000 0.0000
H 10 3.2657 3.1512 3.5889 0.0000
H 11 2.8113 2.4059 2.9561 0.7971 0.0000
H 12 1.4158 2.6200 2.2901 2.3980 2.2860 0.0000
H 13 2.6199 1.4158 2.2900 2.1355 1.3413 2.8059
H 14 0.6201 2.2901 1.4158 3.7574 3.3700 1.6200
H 15 2.2900 0.6200 1.4157 3.5955 2.8161 3.2400
H 16 2.7431 3.5192 3.4849 1.6620 2.0355 1.3800
H 17 1.4158 1.4158 0.6200 4.2079 3.5650 2.8059
H 18 4.3433 4.8708 5.0104 2.0285 2.7807 3.0000
H 19 4.3433 4.4726 4.8212 1.3414 2.1356 3.1864
H 13 H 14 H 15 H 16 H 17 H 18
------------------------------------------------------------------
H 13 0.0000
H 14 3.2400 0.0000
H 15 1.6200 2.8059 0.0000
H 16 3.1269 3.0000 4.1077 0.0000
H 17 2.8059 1.6200 1.6199 4.0601 0.0000
H 18 4.1077 4.6200 5.4053 1.6200 5.6083 0.0000
H 19 3.4641 4.7432 4.9340 1.9436 5.4400 1.0739
H 19
-----------
H 19 0.0000
ATOMIC CHARGES
N 1 -0.2549112736
N 2 -0.2701754123
C 3 -0.0322536602
C 4 0.0354985986
C 5 -0.0573051254
C 6 -0.0573051254
C 7 -0.0614600385
C 8 -0.0614600385
C 9 -0.0617406656
H 10 0.0487052029
H 11 0.0487052029
H 12 0.0620704540
H 13 0.0620704540
H 14 0.0617669608
H 15 0.0617669608
H 16 0.1406698886
H 17 0.0617583596
H 18 0.1367996287
H 19 0.1367996287
BOND ANGLES
4 1 2 C3 N3 N3 120.001
1 2 18 N3 N3 HC 119.997
1 2 19 N3 N3 HC 120.002
16 1 2 HC N3 N3 119.997
1 2 18 N3 N3 HC 119.997
1 2 19 N3 N3 HC 120.002
2 1 4 N3 N3 C3 120.001
1 4 10 N3 C3 HC 79.995
1 4 11 N3 C3 HC 160.002
16 1 4 HC N3 C3 120.002
1 4 10 N3 C3 HC 79.995
1 4 11 N3 C3 HC 160.002
2 1 16 N3 N3 HC 119.997
4 1 16 C3 N3 HC 120.002
19 2 18 HC N3 HC 120.001
18 2 19 HC N3 HC 120.001
5 3 4 Car Car C3 120.001
3 4 10 Car C3 HC 160.004
3 4 11 Car C3 HC 79.997
6 3 4 Car Car C3 120.001
3 4 10 Car C3 HC 160.004
3 4 11 Car C3 HC 79.997
4 3 5 C3 Car Car 120.001
3 5 7 Car Car Car 120.001
3 5 12 Car Car HC 120.002
6 3 5 Car Car Car 119.999
3 5 7 Car Car Car 120.001
3 5 12 Car Car HC 120.002
4 3 6 C3 Car Car 120.001
3 6 8 Car Car Car 120.001
3 6 13 Car Car HC 119.998
5 3 6 Car Car Car 119.999
3 6 8 Car Car Car 120.001
3 6 13 Car Car HC 119.998
11 4 10 HC C3 HC 80.007
10 4 11 HC C3 HC 80.007
12 5 7 HC Car Car 119.997
5 7 9 Car Car Car 120.001
5 7 14 Car Car HC 119.997
7 5 12 Car Car HC 119.997
13 6 8 HC Car Car 120.002
6 8 9 Car Car Car 120.001
6 8 15 Car Car HC 120.002
8 6 13 Car Car HC 120.002
14 7 9 HC Car Car 120.002
7 9 17 Car Car HC 120.001
9 7 14 Car Car HC 120.002
15 8 9 HC Car Car 119.998
8 9 17 Car Car HC 120.001
9 8 15 Car Car HC 119.998
TORSION ANGLES
4 1 2 18 179.974
4 1 2 19 0.026
16 1 2 18 0.026
16 1 2 19 179.974
2 1 4 3 179.974
2 1 4 10 0.026
2 1 4 11 0.026
16 1 4 3 0.026
16 1 4 10 179.974
16 1 4 11 179.974
5 3 4 1 0.026
5 3 4 10 179.974
5 3 4 11 179.974
6 3 4 1 179.974
6 3 4 10 0.026
6 3 4 11 0.026
4 3 5 7 179.974
4 3 5 12 0.026
6 3 5 7 0.026
6 3 5 12 179.974
4 3 6 8 179.974
4 3 6 13 0.026
5 3 6 8 0.026
5 3 6 13 179.974
3 5 7 9 0.026
3 5 7 14 179.974
12 5 7 9 179.974
12 5 7 14 0.026
3 6 8 9 0.026
3 6 8 15 179.974
13 6 8 9 179.974
13 6 8 15 0.026
5 7 9 8 0.026
5 7 9 17 179.974
14 7 9 8 179.974
14 7 9 17 0.026
6 8 9 7 0.026
6 8 9 17 179.974
15 8 9 7 179.974
15 8 9 17 0.026
|