Geometry & MOs

Info

ID:	259796
PubChem CID:	103174641
Reduced:	O4N5C12H15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	297.121237
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	8.66
IP(EA), eV:	-9.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxypyridin-2-yl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=NN1CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations