Geometry & MOs

Info

ID:	259835
PubChem CID:	103175880
Reduced:	F2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-270.88
Dipole, Da:	6.35
IP(EA), eV:	-9.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethyl-6-methylpyridin-3-yl)oxymethyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=C(C=C1F)C(=O)O)F

DOS

IR

Vibrations