Geometry & MOs
Info
ID: |
54519 |
PubChem CID: |
17388806 |
Reduced: |
N2S3C19H21 (1) |
Stoich.: |
A2B3C19D21 (1) |
Weight, g/mol: |
220.083937 |
ΔHf, kcal/mol: |
59.18 |
Dipole, Da: |
2.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.207879 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-amino-5,7-dimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazin-6-one;hydrochloride