Geometry & MOs

Info

ID:	269298
PubChem CID:	103616847
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	1.09
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethylphenoxy)methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=CC=C(O2)Br)C

DOS

IR

Vibrations