4-[(Cyclopentyloxy)Methyl]-N-[3-Methoxy-4-(4-Methyl-1H-Imidazol-1-Yl)Phenyl]-7,8-Dihydro-5H-Pyrano[4,3-D]Pyrimidin-2-Amine

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Properties Simple | Detailed

Formula C24H29N5O3
IUPAC Name 4-(cyclopentoxymethyl)-n-[3-methoxy-4-(5-methyl-4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-amine
Molecular Mass 435.519 g·mol−1
Heat of Formation -186.7 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 522.09 Å 3
Surface Area 440.37 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey RMRFSIAFQBYBSN-UHFFFAOYSA-N
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