Geometry & MOs

Info

ID:

441249

PubChem CID:

135233814

Reduced:

N2H19C25 (2)

Stoich.:

A2B19C25 (2)

Weight, g/mol:

707.318815

ΔHf, kcal/mol:

276.08

Dipole, Da:

3.8

IP(EA), eV:

 -7.84(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-[8-[4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]dibenzofuran-1-yl]pyridine

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C21)N3C4=C(C5=CC=CC=C5CC4)C6=C3C=C7C(=C6)C8=CC=CC=C8N7C9=NC1=CC=CC=C1NC9C1=CC=C2C=CC=CC2C1

DOS

IR

Vibrations