Geometry & MOs

Info

ID:	261017
PubChem CID:	103214344
Reduced:	ClINOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	250.056527
ΔH_f, kcal/mol:	38.7
Dipole, Da:	4.57
IP(EA), eV:	-9.75(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CC2=CN=CS2)Cl)I

DOS

IR

Vibrations