1-((2-(6,11-Dihydrodibenz[B,E]Oxepin-11-Yl)Ethyl)Methylamino)-3-Phenoxy-2-Propanol

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Formula C26H29NO3
IUPAC Name (2r)-1-[2-[(11r)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]ethyl-methyl-amino]-3-phenoxy-propan-2-ol
Molecular Mass 403.513 g·mol−1
Heat of Formation -256.8 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 505.75 Å 3
Surface Area 374.67 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey SZQLTQPHXXXMNC-ZJSXRUAMSA-N
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