Geometry & MOs

Info

ID:	183900
PubChem CID:	77088762
Reduced:	N2O2F6C15H16 (1)
Stoich.:	A2B2C6D15E16 (1)
Weight, g/mol:	269.036732
ΔH_f, kcal/mol:	-399.06
Dipole, Da:	3.53
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxypyridin-4-yl)-5-fluoro-4-methoxypyrimidine

Drug info:

PubChemData

Smile

C1CC(CNC1)(CNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations