(8β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-Isopropyl-6-Methylergoline-8-Carboxamide

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Properties Simple | Detailed

Formula C24H33N3O2
IUPAC Name (6ar,9r,10ar)-n-[(1s,2r)-2-hydroxycyclopentyl]-4-isopropyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular Mass 395.538 g·mol−1
Heat of Formation -299.5 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 498.3 Å 3
Surface Area 421.02 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
InChIKey IMSDOBUYDTVEHN-ILMFXRJHSA-N
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