2-(8-Chloro-5-Methyl-2H-Thiochromeno[4,3,2-Cd]Indazol-2-Yl)-N,N-Diethylethanamine

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Properties Simple | Detailed

Formula C20H22ClN3S
IUPAC Name 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-n,n-diethyl-ethanamine
Molecular Mass 371.927 g·mol−1
Heat of Formation 263.3 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 436.97 Å 3
Surface Area 380.65 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloroindazolelucanthone
  • 8-chloro-n,n-diethyl-5-methyl-2h-(1)benzothiopyrano(4,3,2-cd)indazole-2-ethanamine, monomethanesulfonate
  • ia 3
InChIKey NGZVEPBBEAOJNA-UHFFFAOYSA-N
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Elements H S N C Cl