4-Amino-N-[(3S,4R,5R,7R)-1-Azatricyclo[3.3.1.0~3,7~]Non-4-Yl]-5-Chloro-2-Methoxybenzamide

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Formula C16H20ClN3O2
IUPAC Name 4-amino-n-[(3s,4r,5r,7r)-1-azatricyclo[3.3.1.0 3,7 ]non-4-yl]-5-chloro-2-methoxybenzamide
Molecular Mass 321.802 g·mol−1
Heat of Formation -234.4 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 366.21 Å 3
Surface Area 317.52 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey MRKYTIJPEALHEE-IQXZMDMISA-N
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Elements H C N O Cl