Geometry & MOs

Info

ID:	210861
PubChem CID:	80864182
Reduced:	ClFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	4.66
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(3,4-dimethylphenoxy)-N-ethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OC2=CC=CC=C2F)Cl

DOS

IR

Vibrations