Nib

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Formula C35H52N2O3
IUPAC Name [(2s)-8-[(1r,2r)-1,2-dimethylheptyl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1h-chromeno[4,3-c]pyridin-10-yl] 4-(1-piperidyl)butanoate
Molecular Mass 548.799 g·mol−1
Heat of Formation -457.2 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 738.11 Å 3
Surface Area 563.35 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
InChIKey MCVPMHDADNVRKF-KAYWLYCHSA-N
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