5-Chloro-2-[3-(4-Phenyl-3,6-Dihydropyridin-1(2H)-Yl)Propyl]Quinazolin-4-Ol

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Properties Simple | Detailed

Formula C22H23ClN3O+
IUPAC Name 5-chloro-2-[3-[(1r)-4-phenyl-3,6-dihydro-2h-pyridin-1-yl]propyl]quinazolin-1-ium-4-one
Molecular Mass 380.891 g·mol−1
Heat of Formation 69.2 ± 16.7 kJ·mol−1
Dipole Moment 11.35 ± 1.08 D
Volume 449.52 Å 3
Surface Area 364.93 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
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InChIKey QJGMBDBIOLISMH-UHFFFAOYSA-N
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Elements H C N O Cl