Geometry & MOs

Info

ID:	362657
PubChem CID:	127309021
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	345.191323
ΔH_f, kcal/mol:	17.47
Dipole, Da:	3.64
IP(EA), eV:	-8.94(-0.59)
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-[(2-methylpyrimidin-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations