Geometry & MOs
Info
ID: |
12912 |
PubChem CID: |
148263 |
Reduced: |
NO5H20C21 (1) |
Stoich.: |
AB5C20D21 (1) |
Weight, g/mol: |
366.134148 |
ΔHf, kcal/mol: |
-108.0 |
Dipole, Da: |
2.15 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.888157 |
Charge, e: |
1 |
Chem-info
IUPAC name:
16,17,21-trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene