4-(3,5-Dibromo-4-Methoxybenzyl)-2-(Methylamino)Imidazo[4,5-D]Azepin-5(1H)-One

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Properties Simple | Detailed

Formula C16H14Br2N4O2
IUPAC Name 8-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylamino-3h-imidazo[4,5-d]azepin-7-one
Molecular Mass 454.116 g·mol−1
Heat of Formation 141.6 ± 16.7 kJ·mol−1
Dipole Moment 10.16 ± 1.08 D
Volume 411.82 Å 3
Surface Area 349.97 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(3,5-dibromo-4-methoxy-benzyl)-2-methylamino-3h-imidazo[4,5-d]azepin-7-one
  • 8-[(3,5-dibromo-4-methoxy-phenyl)methyl]-2-methylamino-3h-imidazo[4,5-d]azepin-7-one
InChIKey KRAXBUZDPZIHER-UHFFFAOYSA-N
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Elements H C O Br N