N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-2-Hydroxy-3-(~123~I)Iodo-6-Methoxybenzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C15H21IN2O3
IUPAC Name n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3-iodo-6-methoxy-benzamide
Molecular Mass 404.243 g·mol−1
Heat of Formation -418.8 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 384.04 Å 3
Surface Area 340.15 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey CANPFCFJURGKAX-SCBSARHOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N