Geometry & MOs

Info

ID:	144821
PubChem CID:	53419352
Reduced:	OF3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	246.021435
ΔH_f, kcal/mol:	-398.02
Dipole, Da:	4.68
IP(EA), eV:	-10.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,6-dichloro-3-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations