Geometry & MOs

Info

ID:	285973
PubChem CID:	104142652
Reduced:	ClNOF4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	309.06872
ΔH_f, kcal/mol:	-242.56
Dipole, Da:	3.8
IP(EA), eV:	-9.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(chloromethyl)-6-(4-chlorophenoxy)pyridine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CCl)OCC(C(F)F)(F)F

DOS

IR

Vibrations