2-(3-Ethoxyphenyl)-5,6-Dihydro[1,2,4]Triazolo[5,1-A]Isoquinoline

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Properties Simple | Detailed

Formula C18H17N3O
IUPAC Name 2-(3-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
Molecular Mass 291.347 g·mol−1
Heat of Formation 230.3 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 346.18 Å 3
Surface Area 323.43 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2,4)triazolo(5,1-a)isoquinoline, 2-(3-ethoxyphenyl)-5,6-dihydro-
  • 2-(3-ethoxyphenyl)-5,6-dihydro-(1,2,4)triazolo(5,1-a)isoquinoline
  • 2-(3-ethoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline
  • dl 204
  • dl 204-it
  • dl 204it
  • dl-204-it
  • l 11204
  • ll-11204
  • s-triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-(m-ethoxyphenyl)-
CAS Number(s)
  • 55308-64-0
InChIKey NZDDMKIDRQAGND-UHFFFAOYSA-N
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