Geometry & MOs

Info

ID:	255734
PubChem CID:	103134344
Reduced:	BrFN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	22.24
Dipole, Da:	3.71
IP(EA), eV:	-9.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=C(C=C2)F)Br)N

DOS

IR

Vibrations