Geometry & MOs
Info
ID: |
148593 |
PubChem CID: |
53788261 |
Reduced: |
C3H4N5 (1) |
Stoich.: |
A3B4C5 (1) |
Weight, g/mol: |
228.075959 |
ΔHf, kcal/mol: |
105.71 |
Dipole, Da: |
2.7 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.785599 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-methyl-5-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole