Geometry & MOs

Info

ID:	155317
PubChem CID:	56352904
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	3.04
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Br

DOS

IR

Vibrations