Geometry & MOs

Info

ID:	209389
PubChem CID:	80664093
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	319.015781
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	2.85
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]pyrimidine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C)COC2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations