Geometry & MOs

Info

ID:

432453

PubChem CID:

135172586

Reduced:

O4C23H34 (2)

Stoich.:

A4B23C34 (2)

Weight, g/mol:

690.337953

ΔHf, kcal/mol:

-390.34

Dipole, Da:

1.51

IP(EA), eV:

 -8.89(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-ethyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-4-methylphenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2CCC(CC2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations