Geometry & MOs
Info
ID: |
132625 |
PubChem CID: |
51388169 |
Reduced: |
ON5C19H34 (1) |
Stoich.: |
AB5C19D34 (1) |
Weight, g/mol: |
347.268511 |
ΔHf, kcal/mol: |
-40.03 |
Dipole, Da: |
6.81 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.753796 |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-amino-7-hexyl-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carbonitrile