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

Molecule SVG Image

Properties Simple | Detailed

Formula C29H37N5O3
IUPAC Name n1-[(1r,5s)-8-[5-(cyclopropanecarbonyl)-2-pyridyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-5-[[(1r)-1-methylpropyl]amino]terephthalamide
Molecular Mass 503.636 g·mol−1
Heat of Formation -355.5 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 624.87 Å 3
Surface Area 506.63 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey LHGWWAFKVCIILM-HLRQEUIKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N