Geometry & MOs

Info

ID:	289702
PubChem CID:	104368725
Reduced:	BrClN2O3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	7.27
IP(EA), eV:	-9.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethoxypyrazin-2-yl)-(3-ethylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=CN=C(C(=N1)OC)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations