Geometry & MOs

Info

ID:	344443
PubChem CID:	127267619
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	3.59
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations