1-Isocyanato-3,3-Dimethyl-Butane

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Properties Simple | Detailed

Formula C7H15NO
IUPAC Name 1-isocyanato-3,3-dimethyl-butane
Molecular Mass 129.200 g·mol−1
Heat of Formation -302.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 189.93 Å 3
Surface Area 182.89 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 4.33 ± eV
Point Group Symmetry C1
Synonyms
  • n-(3,3-dimethylbutyl)methanamide
InChIKey QOCXLGWYHYULLD-UHFFFAOYSA-N
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