Geometry & MOs

Info

ID:	278966
PubChem CID:	103840170
Reduced:	ClN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	344.07356
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	4.1
IP(EA), eV:	-8.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-])(CN(C)C)O

DOS

IR

Vibrations