6-{[2-(1H-Imidazol-5-Yl)Ethyl]Amino}-N-(4-Methylphenyl)Heptanamide

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Properties Simple | Detailed

Formula C19H28N4O
IUPAC Name (6s)-6-(2-imidazol-3-ium-4-ylium-4-ylethylamino)-n-(p-tolyl)heptanamide
Molecular Mass 328.452 g·mol−1
Heat of Formation -135.5 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 430.58 Å 3
Surface Area 350.67 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey QNIVPXHOVMGAFZ-INIZCTEOSA-N
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