N-{(3S,4R)-4-[(6-Amino-4-Methyl-2-Pyridinyl)Methyl]-3-Pyrrolidinyl}-N'-[2-(3-Fluorophenyl)Ethyl]-1,2-Ethanediamine

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Properties Simple | Detailed

Formula C21H30FN5
IUPAC Name n'-[(3s,4r)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Molecular Mass 371.495 g·mol−1
Heat of Formation -42.1 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 478.77 Å 3
Surface Area 435.8 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey PUOKPLCASUFBAN-YLJYHZDGSA-N
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Elements H C F N