Geometry & MOs

Info

ID:

377863

PubChem CID:

134223928

Reduced:

ON5H29C37 (1)

Stoich.:

AB5C29D37 (1)

Weight, g/mol:

501.252861

ΔHf, kcal/mol:

186.32

Dipole, Da:

1.75

IP(EA), eV:

 -8.61(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[6-[(Z)-2-(methylideneamino)hex-4-en-3-yl]-2-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]pyrimidin-4-yl]phenyl]quinolin-8-ol

Drug info:

PubChemData

Smile

C/C(=C\C=C/N=C)/C1=NC(=CC(=N1)C2=CN=CC=C2)C3=CC=CC(=C3)C4=NC5=C(C=CC=C5OCC6=CC=CC=C6)C=C4

DOS

IR

Vibrations