1-[(2-Methoxy-6-Methyl-3-Pyridinyl)Methyl]-2-Aziridinecarbonitrile

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Properties Simple | Detailed

Formula C11H13N3O
IUPAC Name (1r,2s)-1-[(2-methoxy-6-methyl-3-pyridyl)methyl]aziridine-2-carbonitrile
Molecular Mass 203.240 g·mol−1
Heat of Formation 187.6 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 259.54 Å 3
Surface Area 244.73 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey KOYMTVWMCXDJNV-QMTHXVAHSA-N
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