Geometry & MOs

Info

ID:	259712
PubChem CID:	103172839
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	6.54
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3,4-dimethoxypyridin-2-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

COCCN(CCC#N)CC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations