(3As,5S,6Ar,7As,12As)-5-Methyltetradecahydro-11H-Pyrido[1',2':3,4]Pyrimido[2,1,6-De]Quinolizin-11-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26N2O
IUPAC Name (1s,7s,9r,11s,13s,17s)-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-3-one
Molecular Mass 262.390 g·mol−1
Heat of Formation -306.4 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 335.63 Å 3
Surface Area 282.31 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 4.70 ± eV
Point Group Symmetry C1
Synonyms
  • cernuine
CAS Number(s)
  • 6880-84-8
InChIKey IWSJXTCXZSUCNS-LXFSFDBISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N