Geometry & MOs

Info

ID:

445398

PubChem CID:

135266805

Reduced:

N2H46C55 (1)

Stoich.:

A2B46C55 (1)

Weight, g/mol:

706.334799

ΔHf, kcal/mol:

269.83

Dipole, Da:

0.99

IP(EA), eV:

 -8.04(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[10-[(2E,4E,6Z)-5-ethylocta-2,4,6-trien-3-yl]-9-naphthalen-2-ylanthracen-2-yl]phenyl]-1-phenylbenzimidazole

Drug info:

PubChemData

Smile

C/C=C\C=C/1\C(C2C=C(C=CC2=C(C1=C)/C(=C/C)/C=C\3/C=CC=CC3=C)C4=CC=C(C=C4)C5NC6=CC=CC=C6N5C7=CC=CC=C7)C8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations