Geometry & MOs

Info

ID:

47581

PubChem CID:

10534492

Reduced:

N4C44H49 (2)

Stoich.:

A4B44C49 (2)

Weight, g/mol:

1330.668623

ΔHf, kcal/mol:

484.41

Dipole, Da:

6.21

IP(EA), eV:

 -7.33(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hexyl-2-[4-hexyl-5-[4-hexyl-5-[4-hexyl-5-[4-hexyl-5-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-hexylthiophen-2-yl)thiophene

Drug info:

PubChemData

Smile

CCCCCC#CC1=CC2=C(C=C1C#CCCCCC)C3=NC4=NC(=NC5=NC(=NC6=C7C=C(C(=CC7=C(N6)N=C2N3)C#CCCCCC)C#CCCCCC)C8=C5C=C(C(=C8)C#CCCCCC)C#CCCCCC)C9=C4C=C(C(=C9)C#CCCCCC)C#CCCCCC

DOS

IR

Vibrations