2-{4-[3-(5H-Dibenzo[B,F]Azepin-5-Yl)Propyl]-1-Piperazinyl}Ethyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C29H39N3O6
IUPAC Name (2r,3r,4s,5s,6r)-2-[2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 525.636 g·mol−1
Heat of Formation -806.0 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 639.74 Å 3
Surface Area 519.52 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey GVUGRCGKZRTSLY-XYPQWYOHSA-N
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