4-Amino-2-Methyl-N-(1H-Pyrazol-3-Yl)-8-Quinazolinecarboxamide

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Properties Simple | Detailed

Formula C13H12N6O
IUPAC Name 4-amino-2-methyl-n-pyrazol-1-ium-2-id-3-yl-quinazoline-8-carboxamide
Molecular Mass 268.274 g·mol−1
Heat of Formation 212.4 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 298.35 Å 3
Surface Area 280.32 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey DMLHUAFVSLGSDJ-UHFFFAOYSA-N
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