Geometry & MOs

Info

ID:	312311
PubChem CID:	126604242
Reduced:	ClFO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	400.105307
ΔH_f, kcal/mol:	-163.75
Dipole, Da:	3.02
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chloro-4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl] propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1OCC2=C(C=CC=C2F)OC(=O)CC)Cl)CC

DOS

IR

Vibrations