Geometry & MOs

Info

ID:	200524
PubChem CID:	79404988
Reduced:	SN3O3C10H19 (1)
Stoich.:	AB3C3D10E19 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	5.16
IP(EA), eV:	-10.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations