Geometry & MOs

Info

ID:	257585
PubChem CID:	103147238
Reduced:	F2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	311.96312
ΔH_f, kcal/mol:	-211.28
Dipole, Da:	3.13
IP(EA), eV:	-10.04(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CCOCC(F)F

DOS

IR

Vibrations