Formula |
C18H20ClNO2 |
IUPAC Name |
(1r)-6-chloro-3-methyl-1-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol |
Molecular Mass |
317.810 g·mol−1 |
Heat of Formation |
-260.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.39 ± 1.08 D |
Volume |
369.39 Å 3 |
Surface Area |
323.24 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
-0.19 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (
- )
- ,
- -
- 1
- 2
- 3
- 4
- 5
- 6
- 7
- 8
- a
- b
- c
- d
- e
- h
- i
- l
- m
- n
- o
- p
- r
- t
- y
- z
|
InChIKey |
JXMYTVOBSFOHAF-OAHLLOKOSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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|
Elements |
H
C
N
O
Cl
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