6-Chloro-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine 3-Oxide

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Properties Simple | Detailed

Formula C11H14ClNO
IUPAC Name (3s)-6-chloro-3-methyl-3-oxido-1,2,4,5-tetrahydro-3-benzazepin-3-ium
Molecular Mass 211.688 g·mol−1
Heat of Formation 1946.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 231.68 Å 3
Surface Area 224.32 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -3.20 ± eV
Point Group Symmetry C1
InChIKey NWKFFNFPWYTDHB-CYBMUJFWSA-N
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Elements C N O Cl