5H-Pyrido(3,2-B)Azepine, 5-(Bromoacetyl)-6,7,8,9-Tetrahydro-

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Properties Simple | Detailed

Formula C11H13BrN2O
IUPAC Name 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
Molecular Mass 269.138 g·mol−1
Heat of Formation -85.6 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 265.18 Å 3
Surface Area 229.05 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-bromoacetyl-2,3,4,5-tetrahydro-1h-pyrido(3,2-b)azepine
InChIKey RDRYJVYHQCKKDP-UHFFFAOYSA-N
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Elements H C O Br N