Geometry & MOs

Info

ID:	210973
PubChem CID:	80878347
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	3.31
Dipole, Da:	1.72
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methylphenoxy)-N-ethyl-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=NC(=NC(=C2)C)N

DOS

IR

Vibrations