(8R,10E)-8-[(Dimethylamino)Methyl]-10-[(4Z)-4-(1-Methyl-3H-Indolium-3-Ylidene)-2,5-Dioxo-3-Pyrrolidinylidene]-7,8,9,10-Tetrahydro-6H-Pyrido[1,2-A]Indolium

Molecule SVG Image

Properties Simple | Detailed

Formula C28H48N4O2
IUPAC Name acetylene; but-2-yne; 2-cyanoethynyl(methylidyne)ammonium; [(1s)-1-cyano-2-(2-hydroxyethynyl)cyclopropyl]methyl-methylidyne-ammonium; formaldehyde; methane
Molecular Mass 472.706 g·mol−1
Heat of Formation 10429.3 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 650.49 Å 3
Surface Area 788.39 Å 2
HOMO Energy -6.47 ± 0.55 eV
LUMO Energy -2.53 ± eV
Point Group Symmetry C1
InChIKey OYDDKWPGAIBVKO-JQQWWDHGSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N