Geometry & MOs

Info

ID:	259739
PubChem CID:	103173360
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	416.93982
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	2.62
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)COC2=CC=CC=C2CBr)OC

DOS

IR

Vibrations