Geometry & MOs

Info

ID:	294979
PubChem CID:	117510382
Reduced:	BrFN2O4H6C11 (1)
Stoich.:	ABC2D4E6F11 (1)
Weight, g/mol:	327.95825
ΔH_f, kcal/mol:	-116.93
Dipole, Da:	4.4
IP(EA), eV:	-9.37(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-bromo-7-formyl-1,3-benzodioxol-4-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1OC2=CC(=C(C(=C2O1)C3=NNC(=C3)C(=O)O)F)Br

DOS

IR

Vibrations