Formula |
C22H30N2O2S |
IUPAC Name |
n-[(3-methoxy-2-thienyl)methyl]-2-[(9r)-9-(2-pyridyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine |
Molecular Mass |
386.551 g·mol−1 |
Heat of Formation |
-175.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.29 ± 1.08 D |
Volume |
481.76 Å 3 |
Surface Area |
402.41 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
-0.41 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DMNOVGJWPASQDL-OAQYLSRUSA-N |
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Elements |
H
S
C
O
N
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