Geometry & MOs

Info

ID:	294887
PubChem CID:	117502407
Reduced:	BrFN2O3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	315.99464
ΔH_f, kcal/mol:	-141.61
Dipole, Da:	2.77
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-2,3-dimethoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1F)C2=NNC(=C2)C(=O)O.Br

DOS

IR

Vibrations