(3S,9As)-3-Benzylhexahydro-2H-Pyrido[1,2-A]Pyrazin-1(6H)-One

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Formula C15H20N2O
IUPAC Name (3s,5s,9as)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one
Molecular Mass 244.332 g·mol−1
Heat of Formation -114.3 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 313.78 Å 3
Surface Area 271.67 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9as)-3-(benzyl)-2,3,4,6,7,8,9,9a-octahydropyrido[2,1-c]pyrazin-1-one
  • (3s,9as)-3-(phenylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrido[2,1-c]pyrazin-1-one
  • (3s-trans)-hexahydro-3-(phenylmethyl)-2h-pyrido(1,2-a)pyrazin-1(6h)-one
  • verruculotoxin
CAS Number(s)
  • 56092-63-8
InChIKey CUANCTHYEDWUMU-KBPBESRZSA-N
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