Geometry & MOs

Info

ID:	448781
PubChem CID:	135293568
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	272.057276
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	4.55
IP(EA), eV:	-9.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine

Drug info:

PubChemData

Smile

CC1(OCCO1)C2=CN=CC(=C2)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations