Geometry & MOs
Info
ID: |
383074 |
PubChem CID: |
134974582 |
Reduced: |
O2N3C13H16 (1) |
Stoich.: |
A2B3C13D16 (1) |
Weight, g/mol: |
327.158292 |
ΔHf, kcal/mol: |
-26.41 |
Dipole, Da: |
9.76 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.232626 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R,4S,7S,9S)-16-acetyl-6-ethoxy-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-5,10,12,14-tetraen-3-one