Geometry & MOs

Info

ID:	259834
PubChem CID:	103175869
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	290.09658
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	4.83
IP(EA), eV:	-9.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=NC=CC(=C2C(=O)O)C

DOS

IR

Vibrations