Geometry & MOs
Info
ID: |
315567 |
PubChem CID: |
126627733 |
Reduced: |
O2C5H9 (2) |
Stoich.: |
A2B5C9 (2) |
Weight, g/mol: |
606.207006 |
ΔHf, kcal/mol: |
-191.43 |
Dipole, Da: |
2.11 |
IP(EA), eV: |
-9.9(0.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(9R)-13-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-(2,2-difluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one