Geometry & MOs

Info

ID:	295004
PubChem CID:	117511342
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	330.069063
ΔH_f, kcal/mol:	-81.81
Dipole, Da:	3.34
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CNCC(C1=CC(=C(C=C1Br)OCC2CC2)OC)O

DOS

IR

Vibrations