(4-{[(1S,2S)-2-{[Allyl(Cyclopropyl)Amino]Methyl}Cyclopropyl]Methoxy}Phenyl)(4-Bromophenyl)Methanone

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Formula C24H26BrNO2
IUPAC Name [4-[[(1s,2s)-2-[[allyl(cyclopropyl)amino]methyl]cyclopropyl]methoxy]phenyl]-(4-bromophenyl)methanone
Molecular Mass 440.373 g·mol−1
Heat of Formation 151.9 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 502.4 Å 3
Surface Area 448.52 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4-bromophenyl)-[4-[[(1s,2s)-2-[(cyclopropyl-prop-2-enyl-amino)methyl]cyclopropyl]methoxy]phenyl]methanone
  • (4-bromophenyl)-[4-[[(1s,2s)-2-[(cyclopropyl-prop-2-enylamino)methyl]cyclopropyl]methoxy]phenyl]methanone
  • [4-[[(1s,2s)-2-[(allyl-cyclopropyl-amino)methyl]cyclopropyl]methoxy]phenyl]-(4-bromophenyl)methanone
  • [4-[[(1s,2s)-2-[(allyl-cyclopropylamino)methyl]cyclopropyl]methoxy]phenyl]-(4-bromophenyl)methanone
  • r02
  • {4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone
InChIKey ICPGWJRDLWZVKA-WOJBJXKFSA-N
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Elements H C Br O N