Geometry & MOs

Info

ID:	275461
PubChem CID:	103816173
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	260.9823
ΔH_f, kcal/mol:	7.06
Dipole, Da:	2.92
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(3-methylsulfanylpropoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC2=CN=C(C=C2)Br

DOS

IR

Vibrations