Geometry & MOs
Info
ID: |
165121 |
PubChem CID: |
74502356 |
Reduced: |
ON2C7H15 (1) |
Stoich.: |
AB2C7D15 (1) |
Weight, g/mol: |
435.101468 |
ΔHf, kcal/mol: |
-26.79 |
Dipole, Da: |
5.35 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.753318 |
Charge, e: |
-1 |
Chem-info
IUPAC name:
2-[2-methoxy-6-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenoxy]acetate