N-{(3R,4S)-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'-[(3r,4s)-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 -47.6 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 478.31 Å 3
Surface Area 433.66 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey PUOKPLCASUFBAN-PXNSSMCTSA-N
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Elements H C F N