2-[5-(4-Chlorobenzoyl)-1,4-Dimethyl-1H-Pyrrol-2-Yl]Propanoic Acid

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Formula C16H16ClNO3
IUPAC Name (2r)-2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-1-ium-2-ylium-2-yl]propanoic acid
Molecular Mass 305.756 g·mol−1
Heat of Formation -434.9 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 354.11 Å 3
Surface Area 310.36 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey IBQAJEYJKSRNHK-SNVBAGLBSA-N
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Elements H C N O Cl