Geometry & MOs

Info

ID:	285794
PubChem CID:	104132679
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	5.34
IP(EA), eV:	-9.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)OCC=C

DOS

IR

Vibrations