Geometry & MOs

Info

ID:	377862
PubChem CID:	134223927
Reduced:	ON2H16C24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	559.237211
ΔH_f, kcal/mol:	77.93
Dipole, Da:	5.67
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-4-[4-[3-(8-phenylmethoxyquinolin-2-yl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=C3C=CC4=CC=CNC4=C3C(=O)C=C2)C5=CN=CC=C5

DOS

IR

Vibrations