Geometry & MOs

Info

ID:	257520
PubChem CID:	103146776
Reduced:	ClO2F4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	294.082741
ΔH_f, kcal/mol:	-273.71
Dipole, Da:	4.8
IP(EA), eV:	-10.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)CCOCC(F)(F)F)Cl

DOS

IR

Vibrations