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 |
Links |
PubChem
Wikipedia
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|