Geometry & MOs

Info

ID:	287153
PubChem CID:	104233819
Reduced:	BrFNOSH11C16 (1)
Stoich.:	ABCDEF11G16 (1)
Weight, g/mol:	194.074308
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	2.86
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methoxyphenyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=CSC(=N2)C3=CC=CC=C3Br

DOS

IR

Vibrations