5-[(2R)-2-Butanylamino]-N-{(3-Endo)-8-[5-(Cyclopropylcarbonyl)-2-Pyridinyl]-8-Azabicyclo[3.2.1]Oct-3-Yl}-2-Methylterephthalamide

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Properties Simple | Detailed

Formula C29H38N5O3
IUPAC Name n1-[(1s,5r)-8-[5-(cyclopropanecarbonyl)pyridin-1-ium-5-id-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-5-[[(1r)-1-methylpropyl]amino]terephthalamide
Molecular Mass 504.644 g·mol−1
Heat of Formation -345.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 626.33 Å 3
Surface Area 510.95 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey LHGWWAFKVCIILM-CIQXWFTPSA-N
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