[1-(1-Hydroxy-2-Propanyl)-2,5-Dimethyl-1H-Pyrrol-3-Yl](Phenyl)Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C16H19NO2
IUPAC Name [1-[(1s)-2-hydroxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-1-ium-2-ylium-3-yl]-phenyl-methanone
Molecular Mass 257.328 g·mol−1
Heat of Formation -207.7 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 332.38 Å 3
Surface Area 286.82 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • [1-[(1s)-2-hydroxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-phenyl-methanone
  • [1-[(1s)-2-hydroxy-1-methylethyl]-2,5-dimethyl-3-pyrrolyl]-phenylmethanone
  • [1-[(2s)-1-hydroxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-phenyl-methanone
  • [1-[(2s)-1-hydroxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-phenylmethanone
InChIKey SQHXEPLSVOTCES-LBPRGKRZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N