Geometry & MOs

Info

ID:

397299

PubChem CID:

135030012

Reduced:

ClO11C38H41 (1)

Stoich.:

AB11C38D41 (1)

Weight, g/mol:

293.193682

ΔHf, kcal/mol:

-417.54

Dipole, Da:

3.24

IP(EA), eV:

 -9.58(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)OC(=O)C(C)(C)C)C(=O)C3=C(C(=C(C=C3C2=O)OC)[C@H]4[C@H](C(=O)C=C(C4=O)Cl)C[C@@]5(CCOCO5)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations