Geometry & MOs

Info

ID:

185614

PubChem CID:

77320869

Reduced:

N4O5C33H46 (1)

Stoich.:

A4B5C33D46 (1)

Weight, g/mol:

570.319268

ΔHf, kcal/mol:

-164.83

Dipole, Da:

7.08

IP(EA), eV:

 -8.72(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-2-[2-(7-hydroxy-3,7-dimethyloct-2-enyl)-3,4-dimethoxyphenyl]-6-(3-hydroxy-3-methylbutyl)-5-methoxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)C(C(=O)O)OC2(CCNCC2)N3CCN(CC3)C4CCCCN4CC5=CC=CC=C5

DOS

IR

Vibrations