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
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