Geometry & MOs

Info

ID:	210943
PubChem CID:	80874478
Reduced:	OCl2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	-4.25
Dipole, Da:	4.36
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3,5-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=N1)OC2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations