N-(2,2-Dimethylpropyl)-2-[1-Oxo-7-(3-Thienyl)-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazin-4-Yl]Acetamide

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Formula C18H23N3O2S
IUPAC Name n-(2,2-dimethylpropyl)-2-[(4s)-1-oxo-7-(3-thienyl)-2,3,4,6-tetrahydropyrrolo[1,2-a]pyrazin-5-ium-6-ylium-4-yl]acetamide
Molecular Mass 345.459 g·mol−1
Heat of Formation -216.1 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 420.54 Å 3
Surface Area 375.63 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey PNMQDIXULZYDDT-AWEZNQCLSA-N
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