Geometry & MOs
Info
ID: |
164833 |
PubChem CID: |
74460188 |
Reduced: |
O2N6C29H39 (1) |
Stoich.: |
A2B6C29D39 (1) |
Weight, g/mol: |
502.305624 |
ΔHf, kcal/mol: |
19.01 |
Dipole, Da: |
8.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.812817 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[[(1-benzyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one