Geometry & MOs

Info

ID:	294196
PubChem CID:	117434491
Reduced:	ClFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	272.081537
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	3.29
IP(EA), eV:	-9.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C(=C2)Cl)O)F)C(=O)O

DOS

IR

Vibrations