Geometry & MOs
Info
ID: |
447806 |
PubChem CID: |
135285880 |
Reduced: |
O2N3C9H20 (1) |
Stoich.: |
A2B3C9D20 (1) |
Weight, g/mol: |
607.315855 |
ΔHf, kcal/mol: |
-36.03 |
Dipole, Da: |
4.59 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750761 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[6-amino-4-(3,4-dihydro-2H-chromen-6-yl)-5-[2-(2,6-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid