Geometry & MOs

Info

ID:

319468

PubChem CID:

126656125

Reduced:

ON4H36C55 (1)

Stoich.:

AB4C36D55 (1)

Weight, g/mol:

516.189651

ΔHf, kcal/mol:

256.36

Dipole, Da:

4.86

IP(EA), eV:

 -8.19(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-methylphenyl)diazenyl]-2-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxybenzoic acid

Drug info:

PubChemData

Smile

C=C1/C=C(\C2=C(COC3=CC=CC=C13)C4=C(N2C5=NC6=CC=CC=C6C(=N5)C7=CC=CC=C7)C=CC8=CC=CC=C84)/C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations