Geometry & MOs

Info

ID:

52554

PubChem CID:

12015467

Reduced:

N2O2H7C10 (2)

Stoich.:

A2B2C7D10 (2)

Weight, g/mol:

506.142426

ΔHf, kcal/mol:

73.47

Dipole, Da:

5.25

IP(EA), eV:

 -9.3(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C2C(=C(C(=C2C#N)OC)OC)C#N)C(=C1OC)C#N)C#N

DOS

IR

Vibrations