Geometry & MOs
Info
ID: |
233201 |
PubChem CID: |
87895532 |
Reduced: |
N2C44H87 (1) |
Stoich.: |
A2B44C87 (1) |
Weight, g/mol: |
460.123028 |
ΔHf, kcal/mol: |
-160.43 |
Dipole, Da: |
2.36 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.770554 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-[1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-oxopyridin-3-yl]-3-nitrooxypropan-2-yl] nitrate