2-Isocyanatobutane

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Properties Simple | Detailed

Formula C5H9NO
IUPAC Name (2r)-2-isocyanatobutane
Molecular Mass 99.131 g·mol−1
Heat of Formation -182.6 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 139.27 Å 3
Surface Area 147.2 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
InChIKey DUUSMHZSZWMNCB-RXMQYKEDSA-N
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