2-{[1,3-Dihydroxy-1-(4-Nitrophenyl)-2-Propanyl]Carbamoyl}-1-Methyl-4-Propylpyrrolidinium

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Formula C18H27N3O5
IUPAC Name (1s,2r,4s)-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
Molecular Mass 365.424 g·mol−1
Heat of Formation -605.9 ± 16.7 kJ·mol−1
Dipole Moment 9.39 ± 1.08 D
Volume 446.69 Å 3
Surface Area 386.26 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey SEQRYZQRTVCQIV-WBQNTZJQSA-N
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