[4-(4-Amino-6,7-Dimethoxy-Quinazoline-1,3-Diium-4A-Id-2-Yl)Piperazin-1-Yl]-(4-Azidophenyl)Methanone

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Formula C21H24N8O3
IUPAC Name [4-(4-amino-6,7-dimethoxy-quinazoline-1,3-diium-4a-id-2-yl)piperazin-1-yl]-(4-azidophenyl)methanone
Molecular Mass 436.467 g·mol−1
Heat of Formation 189.8 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 496.57 Å 3
Surface Area 435.36 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey KJBZATDCFLTGQK-UHFFFAOYSA-N
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