Geometry & MOs

Info

ID:	245726
PubChem CID:	103023134
Reduced:	BrFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	3.54
IP(EA), eV:	-9.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-4-methyl-1-thiophen-3-ylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=C(C=C(C=C1)Br)F)OC

DOS

IR

Vibrations