(1S)-8-Chloro-1-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine

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Properties Simple | Detailed

Formula C11H14ClN
IUPAC Name (5s)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine
Molecular Mass 195.689 g·mol−1
Heat of Formation 22.8 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 235.42 Å 3
Surface Area 216.63 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey XTTZERNUQAFMOF-MRVPVSSYSA-N
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Elements H C N Cl