6-(3,4-Dihydro-2(1H)-Isoquinolinyl)-3-Methyl[1,2,4]Triazolo[3,4-A]Phthalazine

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Properties Simple | Detailed

Formula C19H17N5
IUPAC Name 6-(3,4-dihydro-1h-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Molecular Mass 315.372 g·mol−1
Heat of Formation 546.9 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 370.96 Å 3
Surface Area 322.92 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey NMJYSGXBNVGFPT-UHFFFAOYSA-N
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Elements H C N