Geometry & MOs

Info

ID:

51334

PubChem CID:

12013981

Reduced:

Si2O3C87H98 (1)

Stoich.:

A2B3C87D98 (1)

Weight, g/mol:

934.438596

ΔHf, kcal/mol:

77.7

Dipole, Da:

1.15

IP(EA), eV:

 -8.53(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3,5-bis[4-[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenyl]-4-(4-methylphenyl)phenyl]phenoxy]propyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=C(C=C2C3=CC=C(C=C3)C#CC4=CC(=CC(=C4)C(C)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C5=CC=C(C=C5)OCCCOC(=O)C6=CC=CC=C6)C7=CC=C(C=C7)C#CC8=CC(=CC(=C8)C(C)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations