Geometry & MOs

Info

ID:	210965
PubChem CID:	80877268
Reduced:	ClON6C10H11 (1)
Stoich.:	ABC6D10E11 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	45.31
Dipole, Da:	4.5
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-fluoro-5-methylphenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)OC2=CC(=CN=C2)Cl

DOS

IR

Vibrations