(1S,3Ar,9Br)-3A-Benzyl-1-[(Dimethylamino)Methyl]-3A,4,5,9B-Tetrahydronaphtho[2,1-B]Furan-2(1H)-One

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Formula C22H25NO2
IUPAC Name (1s,3ar,9br)-3a-benzyl-1-[(dimethylamino)methyl]-1,4,5,9b-tetrahydrobenzo[e]benzofuran-2-one
Molecular Mass 335.439 g·mol−1
Heat of Formation -212.8 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 421.09 Å 3
Surface Area 346.26 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3ar,9br)-1-(dimethylaminomethyl)-3a-(phenylmethyl)-1,4,5,9b-tetrahydrobenzo[e]benzofuran-2-one
  • (1s,3ar,9br)-1-(dimethylaminomethyl)-3a-(phenylmethyl)-1,4,5,9b-tetrahydronaphtho[4,3-d]furan-2-one
  • (1s,3ar,9br)-3a-(benzyl)-1-(dimethylaminomethyl)-1,4,5,9b-tetrahydrobenzo[e]benzofuran-2-one
  • 3-bdamtnf
  • 3-benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1h)-furanone
CAS Number(s)
  • 126348-55-8
InChIKey UOJPFYJGVXXLTP-RZUBCFFCSA-N
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