Geometry & MOs

Info

ID:	161841
PubChem CID:	57392819
Reduced:	ClFO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	300.116173
ΔH_f, kcal/mol:	-121.11
Dipole, Da:	3.54
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-(oxiran-2-ylmethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1C(O1)COC2=CC=CC=C2C(=O)CCC3=CC=C(C=C3)F.Cl

DOS

IR

Vibrations