Geometry & MOs

Info

ID:	259736
PubChem CID:	103173326
Reduced:	BrNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	3.78
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methyl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)COC2=CC(=C(C=C2)Br)CO)OC

DOS

IR

Vibrations