Geometry & MOs

Info

ID:	362726
PubChem CID:	127309271
Reduced:	OS2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	336.136845
ΔH_f, kcal/mol:	22.01
Dipole, Da:	3.97
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)NCC3=CSC=N3

DOS

IR

Vibrations