Geometry & MOs

Info

ID:	417839
PubChem CID:	135102897
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)CN2CCCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations