Geometry & MOs

Info

ID:	361634
PubChem CID:	127303928
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	7.05
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations