Geometry & MOs

Info

ID:	293583
PubChem CID:	117393916
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-212.11
Dipole, Da:	4.04
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1OC)F)C(C(=O)OC)O

DOS

IR

Vibrations