Geometry & MOs

Info

ID:	288894
PubChem CID:	104327903
Reduced:	BrFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	232.089958
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	3.26
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethylfuran-2-yl)-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)C2=CNC3=C2C=CC(=C3)Br

DOS

IR

Vibrations