4-Bromo-5-Methyl-N-[1-(3-Nitro-2-Pyridinyl)-4-Piperidinyl]-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C16H18BrN5O3
IUPAC Name 4-bromo-5-methyl-n-[1-(3-nitro-2-pyridyl)-4-piperidyl]pyrrole-2-carboxamide
Molecular Mass 408.250 g·mol−1
Heat of Formation 49.9 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 412.72 Å 3
Surface Area 368.15 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey AUXATGQLTJKTRN-UHFFFAOYSA-N
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Elements H C Br O N