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 C20H18N2O4
IUPAC Name 3-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1h-pyrrolo[2,1-b]quinazolin-9-one
Molecular Mass 350.368 g·mol−1
Heat of Formation -265.0 ± 16.7 kJ·mol−1
Dipole Moment 0.76 ± 1.08 D
Volume 400.15 Å 3
Surface Area 351.07 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -1.41 ± 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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