(1R,3S,5R)-2-{(2S)-2-Amino-2-[(1R,3R,5R,7S)-3-Hydroxyadamantan-1-Yl]Acetyl}-2-Azabicyclo[3.1.0]Hexane-3-Carbonitrile

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Formula C18H25N3O2
IUPAC Name (1r,3s,5r)-4-[(2s)-2-amino-2-[(5r,7s)-3-hydroxy-1-adamantyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile
Molecular Mass 315.410 g·mol−1
Heat of Formation -220.6 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 387.66 Å 3
Surface Area 308.59 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
InChIKey QGJUIPDUBHWZPV-CIRWUFKWSA-N
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