3-(4-Oxo-1,4-Dihydro-2-Quinazolinyl)-N-[(1S)-1-(2-Pyridinyl)Ethyl]Propanamide

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Properties Simple | Detailed

Formula C18H19N4O2
IUPAC Name 3-(4-oxo-1h-quinazolin-3-ium-2-yl)-n-[(1r)-1-(3h-pyridin-1-ium-3-id-2-yl)ethyl]propanamide
Molecular Mass 323.369 g·mol−1
Heat of Formation -82.2 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 381.8 Å 3
Surface Area 354.25 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey HWTVYWVFOWWESR-LBPRGKRZSA-O
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