Geometry & MOs

Info

ID:

44459

PubChem CID:

10503650

Reduced:

O3C13H20 (2)

Stoich.:

A3B13C20 (2)

Weight, g/mol:

448.26136

ΔHf, kcal/mol:

-284.04

Dipole, Da:

1.58

IP(EA), eV:

 -9.63(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,5R,6S,13R)-6-[(4-methoxyphenyl)methoxymethyl]-5-methyl-14,16-dioxapentacyclo[11.4.4.01,13.02,10.05,9]henicosa-2,9,18-triene

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C[C@H]1COC(O1)(C)C)OCC2=CC=CC=C2)[C@@H]([C@](C)(CC=C(C)C)C(=O)OC)O

DOS

IR

Vibrations