(8β)-6,8-Dimethyl-2-(2-Methyl-3-Buten-2-Yl)Ergoline

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Properties Simple | Detailed

Formula C21H28N2
IUPAC Name (6ar,9r,10ar)-5-(1,1-dimethylallyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline
Molecular Mass 308.460 g·mol−1
Heat of Formation 123.6 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 409.05 Å 3
Surface Area 335.99 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
InChIKey GXEMWNLJOIOIIM-DDUZABMNSA-N
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Elements H C N