9-(8-Isobutyl-1-Oxo-1,2,3,4-Tetrahydro-6-Isoquinolinyl)-2,7,7-Trimethyl-1,2,3,4,6,7,8,9-Octahydro-5H-β-Carbolin-5-One

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Properties Simple | Detailed

Formula C27H35N3O2
IUPAC Name 9-(8-isobutyl-1-oxo-3,4-dihydro-2h-isoquinolin-6-yl)-2,7,7-trimethyl-3,4,6,8-tetrahydro-1h-pyrido[3,4-b]indol-5-one
Molecular Mass 433.586 g·mol−1
Heat of Formation -307.0 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 551.82 Å 3
Surface Area 443.34 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey JEHITPSPEWPKHP-UHFFFAOYSA-N
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