Geometry & MOs
Info
ID: |
148503 |
PubChem CID: |
53788166 |
Reduced: |
NO2C21H31 (1) |
Stoich.: |
AB2C21D31 (1) |
Weight, g/mol: |
1291.60528 |
ΔHf, kcal/mol: |
-81.2 |
Dipole, Da: |
4.37 |
IP(EA), eV: |
-8.28(0.46) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3aR,10bR)-8-amino-5-methyl-3,3a,6,10b-tetrahydrofuro[3,2-d][2]benzazepine-2,4-dione;(3aR,10bR)-5-methyl-8-(methylamino)-3,3a,6,10b-tetrahydrofuro[3,2-d][2]benzazepine-2,4-dione;2-(2,8-dimethyl-3-oxo-1H-2-benzazepin-4-yl)acetic acid;2-(2,8-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid;methanol;methyl 2-(2,8-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetate