[4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-1-Piperazinyl][(1S,4R)-Bicyclo[2.2.2]Octa-2,5-Dien-2-Yl]Methanone

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Properties Simple | Detailed

Formula C23H27N5O3
IUPAC Name [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(1r,4s)-3-bicyclo[2.2.2]octa-2,5-dienyl]methanone
Molecular Mass 421.492 g·mol−1
Heat of Formation -89.9 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 494.34 Å 3
Surface Area 427.86 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey MXXRJJCMLRPJOF-LSDHHAIUSA-N
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