Geometry & MOs

Info

ID:	292546
PubChem CID:	115354410
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	345.9953
ΔH_f, kcal/mol:	92.37
Dipole, Da:	2.48
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(6-bromonaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1NCC2=NOC(=N2)C3=CC4=C(C=C3)C=C(C=C4)Br

DOS

IR

Vibrations