Formula |
C22H29ClN4O |
IUPAC Name |
6-[[(3r,4r)-4-[2-[[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
400.945 g·mol−1 |
Heat of Formation |
35.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.75 ± 1.08 D |
Volume |
508.72 Å 3 |
Surface Area |
433.74 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.45 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SLFXGXAWJWFFCO-RCOXNQKVSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
Cl
O
N
|
|
|