3-Methyl-1-Nitrobutane

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Properties Simple | Detailed

Formula C5H11NO2
IUPAC Name 3-methyl-1-nitro-butane
Molecular Mass 117.146 g·mol−1
Heat of Formation -160.8 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 155.66 Å 3
Surface Area 161.86 Å 2
HOMO Energy -10.97 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • butane, 3-methyl-1-nitro-
CAS Number(s)
  • 627-67-8
InChIKey FEJLPMVSVDSKHJ-UHFFFAOYSA-N
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