Geometry & MOs
Info
ID: |
403474 |
PubChem CID: |
135060473 |
Reduced: |
NC19H42 (1) |
Stoich.: |
AB19C42 (1) |
Weight, g/mol: |
417.168856 |
ΔHf, kcal/mol: |
-65.22 |
Dipole, Da: |
3.09 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754193 |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5H-pyrido[4,3-b]indole-4-carboxylate