Geometry & MOs
Info
ID: |
46604 |
PubChem CID: |
10525525 |
Reduced: |
NOC21H46 (1) |
Stoich.: |
ABC21D46 (1) |
Weight, g/mol: |
408.129634 |
ΔHf, kcal/mol: |
-92.84 |
Dipole, Da: |
1.84 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750861 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-(4-methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione