Geometry & MOs

Info

ID:	292992
PubChem CID:	117369137
Reduced:	ClFO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	246.0459
ΔH_f, kcal/mol:	-172.3
Dipole, Da:	5.52
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-chloro-5-ethyl-2-fluorophenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1F)CCCC(=O)O)Cl

DOS

IR

Vibrations