(3E)-N-Methyl-3-(5-Oxidodibenzo[B,E]Thiepin-11(6H)-Ylidene)-1-Propanamine

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Properties Simple | Detailed

Formula C18H19NOS
IUPAC Name (3z)-n-methyl-3-[(5s)-5-oxo-6h-benzo[c][1]benzothiepin-11-ylidene]propan-1-amine
Molecular Mass 297.415 g·mol−1
Heat of Formation 122.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 362.96 Å 3
Surface Area 317.16 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey XBXURVRTJAZSCN-IXMGXUHHSA-N
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