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

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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