Geometry & MOs

Info

ID:	257595
PubChem CID:	103147281
Reduced:	F2N2O2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	249.063506
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	1.84
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N)C(=O)CCOCC(F)F

DOS

IR

Vibrations