N-[3-Nitro-4-(3H-Pyridin-1-Ium-3-Id-6-Ylmethyl)Phenyl]Butanamide

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Properties Simple | Detailed

Formula C16H18N3O3
IUPAC Name n-[3-nitro-4-(3h-pyridin-1-ium-3-id-6-ylmethyl)phenyl]butanamide
Molecular Mass 300.332 g·mol−1
Heat of Formation -59.6 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 353.31 Å 3
Surface Area 324.81 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey ISWNNNMOVQFEQR-UHFFFAOYSA-N
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