Geometry & MOs

Info

ID:	155798
PubChem CID:	56367610
Reduced:	BrN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	394.06405
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	5.98
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)COCCOC2=CC=CC=C2

DOS

IR

Vibrations