Geometry & MOs

Info

ID:

310339

PubChem CID:

126579001

Reduced:

NH18C27 (2)

Stoich.:

AB18C27 (2)

Weight, g/mol:

664.262697

ΔHf, kcal/mol:

242.83

Dipole, Da:

2.62

IP(EA), eV:

 -8.92(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-4-(4-pyridin-4-ylpyridin-2-yl)quinazoline

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=CC=C(C=C8)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations