4-Amino-N-[(3S)-1-Azabicyclo[2.2.2]Oct-3-Yl]-5-Chloro-2-(Cyclopropylmethoxy)Benzamide

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Properties Simple | Detailed

Formula C18H24ClN3O2
IUPAC Name 4-amino-5-chloro-2-(cyclopropylmethoxy)-n-[(3s)-quinuclidin-3-yl]benzamide
Molecular Mass 349.855 g·mol−1
Heat of Formation -234.6 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 418.84 Å 3
Surface Area 353.96 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey DBQMQBCSKXTCIJ-MRXNPFEDSA-N
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Elements H C N O Cl