Geometry & MOs

Info

ID:	85031
PubChem CID:	49871413
Reduced:	O2F3H9C12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	484.110928
ΔH_f, kcal/mol:	-421.09
Dipole, Da:	3.38
IP(EA), eV:	-9.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3,5-bis[4-(trifluoromethyl)phenoxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1C)OC2=CC=C(C=C2)C(F)(F)F)OC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations