Geometry & MOs
Info
ID: |
174220 |
PubChem CID: |
75743215 |
Reduced: |
O3N6C25H35 (1) |
Stoich.: |
A3B6C25D35 (1) |
Weight, g/mol: |
475.245764 |
ΔHf, kcal/mol: |
32.26 |
Dipole, Da: |
6.44 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.774746 |
Charge, e: |
1 |
Chem-info
IUPAC name:
1-benzyl-4-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-ium