Geometry & MOs

Info

ID:	138489
PubChem CID:	52372940
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	5.1
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-1,3-thiazol-4-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2CCCN(C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations