Geometry & MOs

Info

ID:	218658
PubChem CID:	85089770
Reduced:	Br2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	492.119601
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	3.07
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-fluorophenoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)OC)OC3=C(C4=CC=CC=C4C=C3)Br)Br)C

DOS

IR

Vibrations