Geometry & MOs

Info

ID:

222888

PubChem CID:

85332923

Reduced:

NO7C33H61 (1)

Stoich.:

AB7C33D61 (1)

Weight, g/mol:

585.211115

ΔHf, kcal/mol:

-425.49

Dipole, Da:

6.2

IP(EA), eV:

 -8.78(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[5-[3-(1,3-benzodioxol-5-yl)-2-carboxyprop-1-enyl]-2-butylimidazol-1-yl]-5-methoxyphenoxy]methyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C)C(C(C)C(C(C)CC(=CC(C)C(C(C)CCCCC1C(C(C(C(=O)O1)C)O)C)O)C)O)OC(=O)N

DOS

IR

Vibrations