Geometry & MOs

Info

ID:	293219
PubChem CID:	117376827
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	4.92
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,5-dimethyl-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)C(C)(C)CC(=O)O

DOS

IR

Vibrations