Geometry & MOs

Info

ID:	297354
PubChem CID:	117615774
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	209.96803
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	3.33
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-methyl-1-benzofuran

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC4CCCC4)CO

DOS

IR

Vibrations