2-Amino-3-Methyl-6-[(1R,2R)-2-Phenylcyclopropyl]-4(3H)-Pyrimidinone

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Properties Simple | Detailed

Formula C14H16N3O
IUPAC Name 2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]-5h-pyrimidin-1-ium-5-id-4-one
Molecular Mass 242.296 g·mol−1
Heat of Formation 93.9 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 299.76 Å 3
Surface Area 253.41 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey VTVXXFGROBMFAL-QWRGUYRKSA-O
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