Aspergillitine

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Formula C15H15NO2+
IUPAC Name 2,3,8-trimethyl-7h-pyrano[3,2-h]isoquinolin-9-ium-7-id-4-one
Molecular Mass 241.285 g·mol−1
Heat of Formation -151.8 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 280.99 Å 3
Surface Area 261.87 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey UCURHOJUSAYQKR-UHFFFAOYSA-O
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