Geometry & MOs

Info

ID:	285974
PubChem CID:	104142806
Reduced:	NOCl2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	323.08437
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	3.22
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(chloromethyl)-6-(5-chloro-2-methylphenoxy)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)CCl)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations