[Amino-[2-(5-Isobutoxy-6-Oxo-Cyclohexa-2,4-Dien-1-Yl)-1,6-Dihydrobenzimidazol-3-Ium-6-Id-5-Yl]Methylene]Ammonium

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22N4O2
IUPAC Name [amino-[2-(5-isobutoxy-6-oxo-cyclohexa-2,4-dien-1-yl)-1,6-dihydrobenzimidazol-3-ium-6-id-5-yl]methylene]ammonium
Molecular Mass 326.393 g·mol−1
Heat of Formation 134.3 ± 16.7 kJ·mol−1
Dipole Moment 20.50 ± 1.08 D
Volume 388.88 Å 3
Surface Area 356.7 Å 2
HOMO Energy -6.40 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
InChIKey KXSAUVKLQJSGHX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N