Geometry & MOs

Info

ID:	70652
PubChem CID:	48413661
Reduced:	BrN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	396.14337
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	3.95
IP(EA), eV:	-9.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations