Geometry & MOs

Info

ID:

173105

PubChem CID:

75597364

Reduced:

OC9H10 (3)

Stoich.:

AB9C10 (3)

Weight, g/mol:

726.419042

ΔHf, kcal/mol:

-63.01

Dipole, Da:

3.98

IP(EA), eV:

 -8.51(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(8,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl)oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CCCC(CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations