Formula |
C26H29NO3 |
IUPAC Name |
(2r)-1-[2-[(11r)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]ethyl-methyl-amino]-3-phenoxy-propan-2-ol |
Molecular Mass |
403.513 g·mol−1 |
Heat of Formation |
-256.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.40 ± 1.08 D |
Volume |
505.75 Å 3 |
Surface Area |
374.67 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-0.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SZQLTQPHXXXMNC-ZJSXRUAMSA-N |
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Elements |
H
C
O
N
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