N-(Cyclopropylmethyl)-2-[4-(4-Methoxybenzoyl)-1-Piperidinyl]-N-[(4-Oxo-1,5,7,8-Tetrahydro-4H-Pyrano[4,3-D]Pyrimidin-2-Yl)Methyl]Acetamide

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Properties Simple | Detailed

Formula C27H35N4O5+
IUPAC Name n-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)-1-piperidyl]-n-[(4-oxo-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-1-ium-4a-id-2-yl)methyl]acetamide
Molecular Mass 495.591 g·mol−1
Heat of Formation -530.3 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 603.59 Å 3
Surface Area 481.32 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey DYGBNAYFDZEYBA-UHFFFAOYSA-N
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