Geometry & MOs

Info

ID:

169773

PubChem CID:

75145971

Reduced:

O6C27H40 (1)

Stoich.:

A6B27C40 (1)

Weight, g/mol:

534.374051

ΔHf, kcal/mol:

-314.17

Dipole, Da:

2.11

IP(EA), eV:

 -8.51(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl acetate

Drug info:

PubChemData

Smile

CC(COC(=O)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations