(1R)-1-{4-[(9As)-Octahydro-2H-Pyrido[1,2-A]Pyrazin-2-Yl]Phenyl}-2-Phenyl-1,2,3,4-Tetrahydro-6-Isoquinolinol

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Formula C29H33N3O
IUPAC Name (1r,2r)-1-[4-[(2s,5s,9as)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]phenyl]-2-phenyl-3,4-dihydro-1h-isoquinolin-6-ol
Molecular Mass 439.592 g·mol−1
Heat of Formation 141.6 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 549.28 Å 3
Surface Area 451.07 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[4-[(9as)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c]pyrazin-2-yl]phenyl]-2-phenyl-3,4-dihydro-1h-isoquinolin-6-ol
  • (1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
  • 1-[4-(octahydro-pyrido[1,2-a]pyrazin-2-yl)-phenyl]-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
  • aej
InChIKey ZGHFWBDHZZKWSI-LITSAYRRSA-N
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