Geometry & MOs

Info

ID:	211430
PubChem CID:	80948300
Reduced:	ClF2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	296.048318
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	1.79
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)NC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations