Geometry & MOs

Info

ID:	259737
PubChem CID:	103173333
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-145.53
Dipole, Da:	6.93
IP(EA), eV:	-9.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2C=C(C=CC2=O)C(=O)O)OC

DOS

IR

Vibrations