Geometry & MOs

Info

ID:

442011

PubChem CID:

135247850

Reduced:

FO4C18H25 (2)

Stoich.:

AB4C18D25 (2)

Weight, g/mol:

536.313789

ΔHf, kcal/mol:

-428.17

Dipole, Da:

2.64

IP(EA), eV:

 -8.79(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-(3-ethyl-4-pentylphenyl)-3-[2-(3-hydroxyprop-1-en-2-ylperoxy)ethoxy]-5,6-dihydronaphthalen-1-yl]oxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

C=C(CO)C(O)OCCOC1=CC(=C(C=C1)CCCCCCF)C2=C(C=CC(=C2)OCCOC(=O)C(=C)CO)CCCCCCF

DOS

IR

Vibrations