Rutaecarpine

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Properties Simple | Detailed

Formula C18H13N3O
IUPAC Name 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Molecular Mass 287.315 g·mol−1
Heat of Formation 186.5 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 321.12 Å 3
Surface Area 294.1 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 8,13-dihydro- indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7h)-one
  • indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one, 8,13-dihydro-
  • oprea1_313284
  • rhetine
  • rutaecarpin
  • rutecarpine
  • smp2_000103
CAS Number(s)
  • 84-26-4
InChIKey ACVGWSKVRYFWRP-UHFFFAOYSA-N
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DOI
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