Geometry & MOs

Info

ID:	183958
PubChem CID:	77093132
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	273.071368
ΔH_f, kcal/mol:	30.08
Dipole, Da:	6.71
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-8-(5-fluoro-4-methoxypyrimidin-2-yl)quinoline

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CN=C2)NC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations