Geometry & MOs

Info

ID:	372306
PubChem CID:	131296048
Reduced:	OBr2F3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	220.048407
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	4.32
IP(EA), eV:	-9.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(carbamoylamino)-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)C(F)(F)F)O)CBr

DOS

IR

Vibrations