Geometry & MOs

Info

ID:	259836
PubChem CID:	103175911
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-6-methylpyridin-3-yl)oxymethyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OCC2=C(C=C(C=C2)C(=O)O)C

DOS

IR

Vibrations