Pnu-142633

Molecule SVG Image

Properties Simple | Detailed

Formula C24H30N4O3
IUPAC Name (1s)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-n-methyl-isochromane-6-carboxamide
Molecular Mass 422.520 g·mol−1
Heat of Formation -316.6 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 513.22 Å 3
Surface Area 446.93 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-[2-[4-(4-aminocarbonylphenyl)piperazin-1-yl]ethyl]-n-methyl-isochroman-6-carboxamide
  • (1s)-1-[2-[4-(4-carbamoylphenyl)-1-piperazinyl]ethyl]-n-methyl-6-isochromancarboxamide
  • (1s)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-n-methyl-isochroman-6-carboxamide
  • (1s)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-n-methylisochroman-6-carboxamide
  • pnu-142633f
InChIKey PNTVCCRNJOGKGA-QFIPXVFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N