Geometry & MOs

Info

ID:

317478

PubChem CID:

126638446

Reduced:

N3C73H73 (1)

Stoich.:

A3B73C73 (1)

Weight, g/mol:

871.392649

ΔHf, kcal/mol:

136.83

Dipole, Da:

4.01

IP(EA), eV:

 -8.63(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[3-[(Z)-2-[4-(4-tert-butylpyridin-2-yl)phenyl]ethenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC=CC=C2C3=CC(=CC(=C3)/C=C\C4=CN=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC=C6C7=CN=C(C=C7C)C8=CC9=C(C=C8)C(CC9(C)C)(C)C)C1=CC2=C(C=C1)C(CC2(C)C)(C)C

DOS

IR

Vibrations