Geometry & MOs

Info

ID:	283795
PubChem CID:	104008092
Reduced:	BrNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	301.108086
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	5.08
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenoxy)-N-[3-(2-hydroxyethoxy)propyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCC(=O)NCCCOCCO

DOS

IR

Vibrations