3-Isothiocyanato-5-(1-Methyl-2-Pyrrolidinyl)Pyridine

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Properties Simple | Detailed

Formula C11H13N3S
IUPAC Name 3-isothiocyanato-5-[(1s,2r)-1-methylpyrrolidin-2-yl]pyridine
Molecular Mass 219.306 g·mol−1
Heat of Formation 283.6 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 260.37 Å 3
Surface Area 242.31 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey PCFYBKBQWQQVTD-LLVKDONJSA-N
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Elements H S C N