4-(7-Chloro-8-Hydroxy-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepin-1-Yl)Benzaldehyde

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Properties Simple | Detailed

Formula C18H18ClNO2
IUPAC Name 4-[(3s,5r)-8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzaldehyde
Molecular Mass 315.794 g·mol−1
Heat of Formation -165.1 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 366.85 Å 3
Surface Area 323.05 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey GECMTWMUNOQORY-MRXNPFEDSA-N
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Elements H C N O Cl