3-[4-[2-Cyano-1-(Oxomethylene)Allyl]-1-[3-[(6Z,8Z)-3-Methyl-1-Azacyclodeca-3,4,6,8-Tetraen-1-Yl]Prop-2-Ynyl]Pyrrolidin-3-Yl]-2-Methylene-4-Oxo-But-3-Enenitrile; Formaldehyde

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Properties Simple | Detailed

Formula C35H58N4O4++
IUPAC Name 6-hydroxy-5-[4-(6-hydroxy-7-oxo-8h-quinolin-1-ium-8-id-5-yl)-1-[3-[(1r,3s)-3-methylazecan-1-yl]propyl]pyrrol-1-ium-3-id-3-yl]-8h-quinolin-1-ium-8-id-7-one
Molecular Mass 598.859 g·mol−1
Heat of Formation -339.0 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 701.3 Å 3
Surface Area 487.34 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey XGWMZVFMQLYWJF-QHCPKHFHSA-N
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