Formula |
C18H19NO4 |
IUPAC Name |
(12as)-10-methoxy-1-methyl-2,3,12,12a-tetrahydro-1h-[1]benzoxepino[2,3,4-ij]isoquinoline-6,9-diol |
Molecular Mass |
313.348 g·mol−1 |
Heat of Formation |
-444.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.03 ± 1.08 D |
Volume |
361.47 Å 3 |
Surface Area |
315.16 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-0.07 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-(1)benzoxepino(2,3,4-ij)isoquinoline-6,9-diol, 2,3,12,12a-tetrahydro-10-methoxy-1-methyl-, (s)-
- celtisine
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CAS Number(s) |
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InChIKey |
VRFVDWALYCNYTM-LBPRGKRZSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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