Geometry & MOs

Info

ID:	295011
PubChem CID:	117511599
Reduced:	BrFN2O3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	330.01029
ΔH_f, kcal/mol:	-147.59
Dipole, Da:	6.13
IP(EA), eV:	-9.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C(=CC=C2)F)OC.Br

DOS

IR

Vibrations