Geometry & MOs

Info

ID:	372155
PubChem CID:	131293896
Reduced:	S2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	3.55
IP(EA), eV:	-9.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(4-methylpiperazin-2-yl)-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CS1)S(=O)(=O)C

DOS

IR

Vibrations