Geometry & MOs

Info

ID:	276813
PubChem CID:	103825381
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	6.32
IP(EA), eV:	-10.28(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations