Geometry & MOs

Info

ID:	69196
PubChem CID:	46530404
Reduced:	BrN2O2C24H33 (1)
Stoich.:	AB2C2D24E33 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	2.53
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

DOS

IR

Vibrations