Geometry & MOs

Info

ID:

296784

PubChem CID:

117592598

Reduced:

O9C37H42 (1)

Stoich.:

A9B37C42 (1)

Weight, g/mol:

641.223903

ΔHf, kcal/mol:

-280.19

Dipole, Da:

4.0

IP(EA), eV:

 -8.74(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[3-(dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol;1,4,5,8-tetrahydroxy-2,6-dimethylanthracene-9,10-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)C)O)O.CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C

DOS

IR

Vibrations