3-(Adamantan-1-Yl)-1-(Aminomethyl)-3,4-Dihydro-1H-Isochromene-5,6-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27NO3
IUPAC Name (1r,3s)-3-(1-adamantyl)-1-(aminomethyl)isochromane-5,6-diol
Molecular Mass 329.433 g·mol−1
Heat of Formation -560.0 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 396.75 Å 3
Surface Area 325.23 Å 2
HOMO Energy -8.83 ± 0.55 eV
Point Group Symmetry C1
InChIKey QLJOSZATCBCBDR-XTKNRUCHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N