Geometry & MOs

Info

ID:	272524
PubChem CID:	103744465
Reduced:	BrSN3O3C10H10 (1)
Stoich.:	ABC3D3E10F10 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	5.06
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxynaphthalen-1-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NCCC2=NC=NO2)Br

DOS

IR

Vibrations