Geometry & MOs

Info

ID:

442253

PubChem CID:

135250841

Reduced:

N4C36H41 (2)

Stoich.:

A4B36C41 (2)

Weight, g/mol:

1062.647241

ΔHf, kcal/mol:

119.3

Dipole, Da:

2.82

IP(EA), eV:

 -8.15(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[3,6,8-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridin-3-yl]pyren-1-yl]pyridine

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CC=C(C=C7)N8C(=NC(C8(C)C)(C)C)C)C9=CC=C(C=C9)N1C(=NC(C1(C)C)(C)C)C)C1=CC=C(C=C1)N1C(=NC(C1(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations