Geometry & MOs

Info

ID:	284777
PubChem CID:	104070316
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	3.41
IP(EA), eV:	-9.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(=O)NC(C)(C)C(C)O

DOS

IR

Vibrations