Geometry & MOs

Info

ID:

441994

PubChem CID:

135247573

Reduced:

O6C33H40 (1)

Stoich.:

A6B33C40 (1)

Weight, g/mol:

638.287968

ΔHf, kcal/mol:

-245.71

Dipole, Da:

4.11

IP(EA), eV:

 -8.73(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[4-[4-[[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]methoxy]phenyl]-3-pentylphenyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=CC(=C3)CCOC(=O)C(=C)CO)CCOC(=O)C(C)CO

DOS

IR

Vibrations