N-(1-Benzyl-4-Piperidinyl)-6,7-Dimethoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-4-Quinazolinamine

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Formula C25H15N6O2
IUPAC Name 3-[[5,6-bis(2-hydroxyethynyl)-2-[2-methylidyneammonioethynyl(prop-1-ynyl)amino]-5h-pyrimidine-1,3-diium-4-yl]amino]penta-1,4-diynyl-methylidyne-ammonium; penta-1,3-diyne
Molecular Mass 431.426 g·mol−1
Heat of Formation 3378.6 ± 16.7 kJ·mol−1
Dipole Moment 13.44 ± 1.08 D
Volume 305.95 Å 3
Surface Area 281.82 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -2.89 ± eV
Point Group Symmetry C1
InChIKey OSXFATOLZGZLSK-UHFFFAOYSA-N
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