Geometry & MOs

Info

ID:	333842
PubChem CID:	127252394
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	324.125612
ΔH_f, kcal/mol:	12.68
Dipole, Da:	1.54
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCOCC(C2)CC3=CC=CC=N3

DOS

IR

Vibrations