4-({4-Amino-6-[(5-Chloro-1H-Indol-4-Yl)Methyl]-1,3,5-Triazin-2-Yl}Amino)Benzonitrile

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Properties Simple | Detailed

Formula C19H14ClN7
IUPAC Name 4-[[4-amino-6-[(5-chloroindol-1-ium-7a-ylium-4-yl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Molecular Mass 375.814 g·mol−1
Heat of Formation 520.2 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 418.49 Å 3
Surface Area 373.45 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile
  • 4-[[4-amino-6-[(5-chloro-1h-indol-4-yl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
  • 4-[[4-amino-6-[(5-chloro-1h-indol-4-yl)methyl]-s-triazin-2-yl]amino]benzonitrile
  • abz
  • benzonitrile, 4-[[4-amino-6-[(5-chloro-1h-indol-4-yl)methyl]-1,3,5-triazin-2-yl]amino]-
InChIKey SOKOHDQTKSROQZ-UHFFFAOYSA-N
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Elements H C Cl N