Geometry & MOs

Info

ID:	259791
PubChem CID:	103174569
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	317.054274
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.52
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2-ethyl-6-methylpyridin-3-yl)oxy-6-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC/C=C/CCl

DOS

IR

Vibrations