(1S)-1-(4-Nitropyrazol-2-Ium-1-Id-3-Yl)Ethanol

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Properties Simple | Detailed

Formula C5H7N3O3
IUPAC Name (1s)-1-(4-nitro-1h-pyrazol-5-yl)ethanol
Molecular Mass 157.127 g·mol−1
Heat of Formation -72.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 171.44 Å 3
Surface Area 170.37 Å 2
HOMO Energy -10.73 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey BXWVGCLWBHZMEZ-VKHMYHEASA-N
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