2-Butyl-11-{(Z)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-10-Azabicyclo[7.2.1]Dodeca-1(11),9(12)-Diene

Molecule SVG Image

Properties Simple | Detailed

Formula C25H33N3O
IUPAC Name (2r)-2-butyl-11-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
Molecular Mass 391.549 g·mol−1
Heat of Formation 164.4 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 512.79 Å 3
Surface Area 401.41 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey JFJGSGABCGVJGJ-YMTDNPRJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N