Geometry & MOs

Info

ID:	259740
PubChem CID:	103173361
Reduced:	NBr2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	2.0
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,4-dimethoxypyridine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)COC2=C(C=C(C=C2)Br)CBr)OC

DOS

IR

Vibrations