Geometry & MOs

Info

ID:

16650

PubChem CID:

474390

Reduced:

O4H13C17 (2)

Stoich.:

A4B13C17 (2)

Weight, g/mol:

562.162768

ΔHf, kcal/mol:

-219.15

Dipole, Da:

4.98

IP(EA), eV:

 -7.62(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(2,4-dihydroxyphenyl)-1-hydroxy-8-methoxynaphthalen-2-yl]-4-hydroxy-5-methoxynaphthalen-1-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=C(C=C2C3=C(C=C(C=C3)O)O)C4=C(C5=C(C=CC=C5OC)C(=C4)C6=C(C=C(C=C6)O)O)O)O

DOS

IR

Vibrations