5-(4-Aminophenyl)-8-Chloro-2,3,4,5-Tetrahydro-3-Methyl-1H-3-Benzazepin-7-Ol

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Properties Simple | Detailed

Formula C17H19ClN2O
IUPAC Name (3s,5r)-5-(4-aminophenyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 302.799 g·mol−1
Heat of Formation -48.9 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 352.76 Å 3
Surface Area 313.13 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
InChIKey PTHLSIBOMNYSIS-OAHLLOKOSA-N
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Elements H C N O Cl