4-Amino-N-(1-Benzyl-1-Oxido-4-Piperidinyl)-5-Chloro-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C20H8ClN3O3+
IUPAC Name 2-[(4r)-4-(2-chloroethynyl)-4-(2-cyanoethynyl)-3-methylene-5-oxo-pyrrol-1-ium-2-yl]ethynyl-hepta-1,3,5-triynyl-hydroxy-ammonium; formaldehyde
Molecular Mass 373.749 g·mol−1
Heat of Formation 2452.2 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 349.89 Å 3
Surface Area 300.88 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -2.89 ± eV
Point Group Symmetry C1
InChIKey LEQPQOJEDKNJLX-RWXRFDSASA-N
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Elements C N O Cl