1-Isocyanato-3,3-Dimethylbutane

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Properties Simple | Detailed

Formula C7H13NO
IUPAC Name 1-isocyanato-3,3-dimethyl-butane
Molecular Mass 127.184 g·mol−1
Heat of Formation -222.0 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 183.35 Å 3
Surface Area 180.21 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 3.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isocyanato-3,3-dimethyl-butane
InChIKey IUZXBEKRQDUZLG-UHFFFAOYSA-N
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