Geometry & MOs

Info

ID:

432475

PubChem CID:

135172608

Reduced:

O4C21H28 (2)

Stoich.:

A4B21C28 (2)

Weight, g/mol:

622.350569

ΔHf, kcal/mol:

-326.76

Dipole, Da:

1.96

IP(EA), eV:

 -8.91(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[3-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C/C=C/CCC1CCC(CC1)C2CCC(=CC2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations