Ceratamine A

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Properties Simple | Detailed

Formula C17H16Br2N4O2
IUPAC Name 4-[(3,5-dibromo-4-methoxy-phenyl)methyl]-6-methyl-2-(methylamino)imidazo[4,5-d]azepin-5-one
Molecular Mass 468.143 g·mol−1
Heat of Formation 136.9 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 429.98 Å 3
Surface Area 363.81 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(3,5-dibromo-4-methoxy-benzyl)-6-methyl-2-methylamino-imidazo[5,4-d]azepin-7-one
  • 8-[(3,5-dibromo-4-methoxy-phenyl)methyl]-6-methyl-2-methylamino-imidazo[5,4-d]azepin-7-one
  • 8-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-methyl-2-methylamino-7-imidazo[5,4-d]azepinone
InChIKey HAIJSTYZBPUVSG-UHFFFAOYSA-N
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Elements H C O Br N