Geometry & MOs

Info

ID:

310336

PubChem CID:

126578985

Reduced:

NH18C27 (2)

Stoich.:

AB18C27 (2)

Weight, g/mol:

662.272199

ΔHf, kcal/mol:

242.81

Dipole, Da:

2.81

IP(EA), eV:

 -8.93(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-(6-phenylpyridin-3-yl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC=C5)C6=NC7=CC=CC=C7C(=N6)C8=CC9=CC=CC=C9C(=C8)C1=CC=CC=C1

DOS

IR

Vibrations