4-{(2S)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-2-Methyl-1(2H)-Isoquinolinone
Properties
Property | Value |
---|---|
Formula | C17H24N2O3 |
IUPAC Name | 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-isoquinolin-1-one |
Molecular Mass | 304.384 g·mol−1 |
Heat of Formation | -476.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.81 ± 1.08 D |
Volume | 383.59 Å 3 |
Surface Area | 315.07 Å 2 |
HOMO Energy | -8.42 ± 0.55 eV |
LUMO Energy | -0.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | TWVUMMQUXMYOOH-LBPRGKRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |