N-Acetylnorheroin

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Properties Simple | Detailed

Formula C22H23NO6
IUPAC Name [(4r,4ar,7s,7ar,12bs)-7-acetoxy-3-acetyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate
Molecular Mass 397.421 g·mol−1
Heat of Formation -911.0 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 449.28 Å 3
Surface Area 355.69 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey LJFIFOPYTFFRKD-HIFDQRORSA-N
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