Geometry & MOs

Info

ID:

168224

PubChem CID:

74938469

Reduced:

N4O4H15C20 (1)

Stoich.:

A4B4C15D20 (1)

Weight, g/mol:

376.117155

ΔHf, kcal/mol:

4.75

Dipole, Da:

6.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.899103

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-hydroxy-3-methoxyphenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),9,11,13,15-pentaene-4,8-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2CC(=O)N=C3C2=C(N=C4N3C5C=CC=CC5=N4)[O-])O

DOS

IR

Vibrations