Geometry & MOs

Info

ID:	228465
PubChem CID:	87564634
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	325.064981
ΔH_f, kcal/mol:	36.11
Dipole, Da:	3.7
IP(EA), eV:	-8.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCC1(NC2=CC=CC=C2N1)C3=NC(=C4C(=N3)SC(=N4)C=O)N5CCOCC5

DOS

IR

Vibrations