Geometry & MOs

Info

ID:	336570
PubChem CID:	127255577
Reduced:	BrNH9C15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	241.95786
ΔH_f, kcal/mol:	146.02
Dipole, Da:	0.21
IP(EA), eV:	-8.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=CC=C(C=C5)Br)C6=CC=CC=C6N4C7=CC=C(C=C7)Br

DOS

IR

Vibrations