Geometry & MOs

Info

ID:	282927
PubChem CID:	103946020
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	4.43
IP(EA), eV:	-10.36(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations