4-(7-Butyl-1,5-Dihydro-6H-Pyrrolo[2,3-B]Pyrazin-6-Ylidene)-2,5-Cyclohexadien-1-One

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Formula C16H17N3O
IUPAC Name 4-(7-butyl-1,5-dihydropyrrolo[2,3-b]pyrazin-6-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 267.326 g·mol−1
Heat of Formation 202.5 ± 16.7 kJ·mol−1
Dipole Moment 11.26 ± 1.08 D
Volume 323.99 Å 3
Surface Area 298.63 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-(7-butyl-1,5-dihydropyrrolo[4,5-b]pyrazin-6-ylidene)-1-cyclohexa-2,5-dienone
  • 4-(7-butyl-1,5-dihydropyrrolo[4,5-b]pyrazin-6-ylidene)cyclohexa-2,5-dien-1-one
  • 6-phenyl[5h]pyrrolo[2,3-b]pyrazine
  • 6-phenyl[5h]pyrrolo[2,3-b]pyrazine (aloisine) 39
  • 7-n-butyl-6-(4-hydroxyphenyl)[5h]pyrrolo[2,3-b]pyrazine
  • aloisine a
  • k00059
  • rp107
InChIKey AYIIQABSVDIZSY-UHFFFAOYSA-N
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