Geometry & MOs

Info

ID:	292706
PubChem CID:	117357271
Reduced:	OSF2N2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	4.24
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC(=CC(=C1F)C2=NOC(=C2)N)F

DOS

IR

Vibrations