4-Bromophenyl 1,4-Diazabicyclo[3.2.2]Nonane-4-Carboxylate

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Properties Simple | Detailed

Formula C14H17BrN2O2
IUPAC Name (4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
Molecular Mass 325.201 g·mol−1
Heat of Formation -212.7 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 329.05 Å 3
Surface Area 288.73 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (4-bromophenyl) ester
InChIKey RXLOZRCLQMJJLC-UHFFFAOYSA-N
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Elements H C O Br N