3-[(3,5-Dimethoxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]-2,4-Dihydropyrrolo[2,1-B]Quinazolin-9(1H)-One

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Properties Simple | Detailed

Formula C20H24N2O4
IUPAC Name 3-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2,4,5,6,7,8-hexahydro-1h-pyrrolo[2,1-b]quinazoline-4a,5,6,7,8,8a-hexaid-9-one
Molecular Mass 356.416 g·mol−1
Heat of Formation -262.8 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 398.47 Å 3
Surface Area 350.29 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1h-pyrrolo[2,1-b]quinazolin-9-one
  • 3-[(4-keto-3,5-dimethoxy-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1h-pyrrolo[2,1-b]quinazolin-9-one
InChIKey MGPNFYJFABOVFP-UHFFFAOYSA-N
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