5-[3-(Dimethylamino)-2-Methylpropyl]-5H-Dibenzo[B,F]Azepin-2-Yl Acetate

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Properties Simple | Detailed

Formula C22H26N2O2
IUPAC Name [11-[(2r)-3-(dimethylamino)-2-methyl-propyl]benzo[b][1]benzazepin-3-yl] acetate
Molecular Mass 350.454 g·mol−1
Heat of Formation -101.1 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 448.52 Å 3
Surface Area 362.61 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey UQTXRYHGNLFLMF-MRXNPFEDSA-N
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