Isobatzelline E

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Properties Simple | Detailed

Formula C11H8ClN3O
IUPAC Name isobatzelline e
Molecular Mass 233.654 g·mol−1
Heat of Formation 133.9 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 244.66 Å 3
Surface Area 227.64 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-amino-6-chloro-1-methyl-1h-pyrrolo[4,3,2-de]quinolin-8-one
  • 7-amino-6-chloro-1-methylpyrrolo[4,3,2-de]quinolin-8(1h)-one
  • pyrrolo[4,3,2-de]quinolin-8(1h)-one, 7-amino-6-chloro-1-methyl-
InChIKey PQYDUSMCHWLZPN-UHFFFAOYSA-N
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Elements H C N O Cl