N-(6-Chloro-9H-β-Carbolin-8-Yl)Nicotinamide

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Properties Simple | Detailed

Formula C17H11ClN4O
IUPAC Name n-(6-chloropyrido[3,4-b]indol-9-ium-8-yl)pyridine-3-carboxamide
Molecular Mass 322.748 g·mol−1
Heat of Formation 239.3 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 352.56 Å 3
Surface Area 323.41 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • n-(6-chloro-9h-$b-carbolin-8-yl)nicotinamide
  • n-(6-chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
InChIKey JZRMBDHPALEPDM-UHFFFAOYSA-N
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Elements H C N O Cl