1-(6,7-Dimethoxy-4-Quinazolinyl)-3-(2-Pyridinyl)-1H-1,2,4-Triazol-5-Amine

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Formula C17H15N7O2
IUPAC Name 2-(6,7-dimethoxyquinazolin-4-yl)-5-(2-pyridyl)-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-amine
Molecular Mass 349.347 g·mol−1
Heat of Formation 340.9 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 387.76 Å 3
Surface Area 350.33 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey ILBRKJBKDGCSCB-UHFFFAOYSA-N
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