Geometry & MOs

Info

ID:

442252

PubChem CID:

135250840

Reduced:

N6H43C44 (2)

Stoich.:

A6B43C44 (2)

Weight, g/mol:

1058.666245

ΔHf, kcal/mol:

313.73

Dipole, Da:

3.49

IP(EA), eV:

 -8.3(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,4,5,5-pentamethyl-1-[4-[3,6,8-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]pyren-1-yl]phenyl]imidazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=NC=C(C=C2)C3=CC(=C4C=CC5=C(C=C(C6=C5C4=C3C=C6)C7=CN=C(C=C7)C8=NC(C(N8C9=CC=CC=C9)(C)C)(C)C)C1=CN=C(C=C1)C1=NC(C(N1C1=CC=CC=C1)(C)C)(C)C)C1=CN=C(C=C1)C1=NC(C(N1C1=CC=CC=C1)(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations