Geometry & MOs

Info

ID:	199317
PubChem CID:	79229941
Reduced:	SO5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	305.00514
ΔH_f, kcal/mol:	-190.51
Dipole, Da:	3.96
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)pyridine

Drug info:

PubChemData

Smile

CC(C(=O)O)S(=O)(=O)CC1COC2=CC=CC=C12

DOS

IR

Vibrations