Geometry & MOs

Info

ID:	276606
PubChem CID:	103824469
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	345.01129
ΔH_f, kcal/mol:	27.71
Dipole, Da:	4.14
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C#CCCCCNC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

DOS

IR

Vibrations