Geometry & MOs

Info

ID:

127521

PubChem CID:

51004843

Reduced:

O3H15C25 (2)

Stoich.:

A3B15C25 (2)

Weight, g/mol:

237.074956

ΔHf, kcal/mol:

24.21

Dipole, Da:

4.09

IP(EA), eV:

 -8.44(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,7S)-4-methyl-3,5-dioxo-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C2[C@H]3C4=CC=CC=C4[C@@H](C2=C(C=C1)OC)C5=C3C(=O)C6=C(C5=O)[C@@H]7C8=CC=CC=C8[C@@H]6C9=C7C(=O)C1=C(C9=O)C2C3=CC=CC=C3C1C1=CC=CC=C21

DOS

IR

Vibrations