N-Allyl-6-Chloro-1-(3-Methylphenyl)-2,3,4,5-Tetrahydro-3-Benzazepinium-7,8-Diol

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Formula C20H22ClNO2
IUPAC Name (1r,3r)-3-allyl-6-chloro-1-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular Mass 343.847 g·mol−1
Heat of Formation -170.8 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 411.42 Å 3
Surface Area 355.01 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey HLNOXCRCYMOMLA-QGZVFWFLSA-N
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Elements H C N O Cl