Geometry & MOs

Info

ID:

45274

PubChem CID:

10510457

Reduced:

N5C76H95 (1)

Stoich.:

A5B76C95 (1)

Weight, g/mol:

952.18508

ΔHf, kcal/mol:

115.32

Dipole, Da:

3.11

IP(EA), eV:

 -7.49(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

4-[4-(4-bromophenyl)-2,6-diphenylphenyl]-1-[2-[4-[4-(4-bromophenyl)-2,6-diphenylphenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

DOS

IR

Vibrations