Geometry & MOs

Info

ID:

377849

PubChem CID:

134223914

Reduced:

ON4H30C44 (1)

Stoich.:

AB4C30D44 (1)

Weight, g/mol:

477.184112

ΔHf, kcal/mol:

183.22

Dipole, Da:

5.08

IP(EA), eV:

 -8.25(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=C/C(=C/3\C=C(C=C(C3=O)C4=CC=CC(=C4)C5=CN=CC=C5)C6=CC=CC(=C6)C7=CN=CC=C7)/N2)C8=CN=CC=C8

DOS

IR

Vibrations