Geometry & MOs

Info

ID:	292964
PubChem CID:	117367195
Reduced:	F2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	246.070365
ΔH_f, kcal/mol:	-246.52
Dipole, Da:	2.56
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=C(C=C1F)F)OC)O

DOS

IR

Vibrations