Geometry & MOs

Info

ID:	293581
PubChem CID:	117393874
Reduced:	N2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	1.29
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(NC2=C1)C(F)(F)F)CCCCN

DOS

IR

Vibrations