Geometry & MOs

Info

ID:

128822

PubChem CID:

51059826

Reduced:

O5N6C20H21 (1)

Stoich.:

A5B6C20D21 (1)

Weight, g/mol:

286.084124

ΔHf, kcal/mol:

-96.93

Dipole, Da:

1.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.893985

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[hydroxy(methoxy)methylidene]-6-oxatricyclo[9.4.0.04,8]pentadeca-1(15),4(8),11,13-tetraene-2,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2/C(=N\[NH+]=C(N)N)/C(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations