Brasofensine

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Properties Simple | Detailed

Formula C16H20Cl2N2O
IUPAC Name 1-[(1s,3s,4r,5r,8s)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]-n-methoxy-methanimine
Molecular Mass 327.249 g·mol−1
Heat of Formation 7.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 384.02 Å 3
Surface Area 324.94 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-[(1r,2r,3s,5s)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylene-methoxy-amine
  • 1-[(1r,2r,3s,5s)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-n-methoxy-methanimine
InChIKey NRLIFEGHTNUYFL-QJDHNRDASA-N
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Elements H C N O Cl