Formula |
C20H28ClN5 |
IUPAC Name |
n'-[(3r,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n-[(3-chlorophenyl)methyl]ethane-1,2-diamine |
Molecular Mass |
373.923 g·mol−1 |
Heat of Formation |
144.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.96 ± 1.08 D |
Volume |
471.22 Å 3 |
Surface Area |
425.24 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
2.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VWCMAGONQJHIJZ-LPHOPBHVSA-N |
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Elements |
H
C
Cl
N
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