Geometry & MOs

Info

ID:

441301

PubChem CID:

135234007

Reduced:

ON3H35C51 (1)

Stoich.:

AB3C35D51 (1)

Weight, g/mol:

702.267114

ΔHf, kcal/mol:

222.36

Dipole, Da:

2.47

IP(EA), eV:

 -8.71(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-[4-(5-cyclohexa-1,3-dien-5-yn-1-yl-2-phenylphenyl)cyclohexa-2,4-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC=CC(=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C(=CC=C5)OC7=C6C=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations