Zyzzyanone C

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Properties Simple | Detailed

Formula C21H19N3O4
IUPAC Name n-[2-[5-(4-hydroxyphenyl)-1-methyl-4,8-dioxo-pyrrolo[3,2-f]indole-1,7-diium-7a,8a-diylium-3-yl]ethyl]-n-methyl-formamide
Molecular Mass 377.393 g·mol−1
Heat of Formation -326.4 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 436.68 Å 3
Surface Area 376.39 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[3-(4-hydroxyphenyl)-4,8-diketo-7-methyl-1h-pyrrolo[4,5-f]indol-5-yl]ethyl]-n-methyl-formamide
  • n-[2-[3-(4-hydroxyphenyl)-7-methyl-4,8-dioxo-1h-pyrrolo[4,5-f]indol-5-yl]ethyl]-n-methyl-formamide
  • n-[2-[3-(4-hydroxyphenyl)-7-methyl-4,8-dioxo-1h-pyrrolo[4,5-f]indol-5-yl]ethyl]-n-methyl-methanamide
  • n-[2-[3-(4-hydroxyphenyl)-7-methyl-4,8-dioxo-1h-pyrrolo[4,5-f]indol-5-yl]ethyl]-n-methylformamide
InChIKey XVILBCSQUJVEAO-UHFFFAOYSA-N
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