Geometry & MOs

Info

ID:

84420

PubChem CID:

49866359

Reduced:

O11C36H36 (1)

Stoich.:

A11B36C36 (1)

Weight, g/mol:

476.147118

ΔHf, kcal/mol:

-351.69

Dipole, Da:

2.62

IP(EA), eV:

 -8.45(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]methyl 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCO[C@H](C1=CC(=C(C=C1)O)OC)[C@H](COC(=O)C2=CC=C(C=C2)O)OC3=C(C=C(C=C3)/C=C/COC(=O)C4=CC=C(C=C4)O)OC

DOS

IR

Vibrations