Geometry & MOs

Info

ID:	361625
PubChem CID:	127303915
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	3.35
IP(EA), eV:	-8.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations