Geometry & MOs

Info

ID:

310350

PubChem CID:

126579155

Reduced:

N2H17C26 (2)

Stoich.:

A2B17C26 (2)

Weight, g/mol:

662.272199

ΔHf, kcal/mol:

257.96

Dipole, Da:

1.72

IP(EA), eV:

 -8.26(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-(2-pyridin-4-ylphenyl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC=C2)N3C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC=CC7=C6N(C8=CC=CC=C78)C9=CC(=CC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations