Geometry & MOs

Info

ID:	293742
PubChem CID:	117398813
Reduced:	O2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	258.090352
ΔH_f, kcal/mol:	-216.53
Dipole, Da:	4.06
IP(EA), eV:	-10.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C(=CC(=C2)CF)F)F)C(=O)O

DOS

IR

Vibrations