(2R)-1-[2-({[(2R,3R,6R)-6-Amino-2-Methyl-3-Piperidinyl]Methyl}Amino)Ethyl]-6-Chloro-3-{[2,2-Difluoro-2-(2-Pyridinyl)Ethyl]Amino}-1,2-Dihydro-2-Pyrazinol

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Properties Simple | Detailed

Formula C20H30ClF2N7O
IUPAC Name (1r,2r)-1-[2-[[(2r,3r,6r)-6-amino-2-methyl-3-piperidyl]methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2h-pyrazin-2-ol
Molecular Mass 457.948 g·mol−1
Heat of Formation -402.8 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 535.83 Å 3
Surface Area 459.53 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey MQHPMJMCBRFLML-BCXHYRKLSA-N
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Elements C Cl H F O N