2-Cyano-3-(1-Methyl-1H-Pyrrol-2-Yl)-3-Oxo-N-Phenylpropanamide

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Formula C15H13N3O2
IUPAC Name (2s)-2-cyano-3-(1-methylpyrrol-1-ium-2-ylium-2-yl)-3-oxo-n-phenyl-propanamide
Molecular Mass 267.283 g·mol−1
Heat of Formation 39.0 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 322.27 Å 3
Surface Area 287.61 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey KBQUAIAGRLAZGP-LBPRGKRZSA-N
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