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

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Properties Simple | Detailed

Formula C28H38N6O2
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 490.640 g·mol−1
Heat of Formation 12.9 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 611.28 Å 3
Surface Area 506.95 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey OSXFATOLZGZLSK-UHFFFAOYSA-N
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