N-(4-Carbamimidoylbenzyl)-1-[(Cyclohexyloxy)Acetyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C21H30N4O3
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexoxy)acetyl]pyrrolidine-2-carboxamide
Molecular Mass 386.488 g·mol−1
Heat of Formation -463.8 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 475.73 Å 3
Surface Area 421.19 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
InChIKey IWPMQJKXKKKSEY-SFHVURJKSA-N
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