(6R)-6-{[2-(1H-Imidazol-4-Yl)Ethyl]Amino}-N-[4-(Trifluoromethyl)Phenyl]Heptanamide

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Properties Simple | Detailed

Formula C19H25F3N4O
IUPAC Name (6r)-6-(2-imidazol-3-ium-4-ylium-4-ylethylamino)-n-[4-(trifluoromethyl)phenyl]heptanamide
Molecular Mass 382.423 g·mol−1
Heat of Formation -742.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 459.46 Å 3
Surface Area 425.51 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey PMKJGGBYYNEYPA-CQSZACIVSA-N
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