Geometry & MOs

Info

ID:	126876
PubChem CID:	50982935
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	5.48
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC)CC2CCN(CC2)CCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations