Geometry & MOs

Info

ID:	124215
PubChem CID:	50875022
Reduced:	BrN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	3.08
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,3-dimethylphenoxy)-N-methylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=NC(=NO1)C2=CC(=CC=C2)Br)OC3=CC=CC(=C3C)C

DOS

IR

Vibrations