Geometry & MOs

Info

ID:	360620
PubChem CID:	127301265
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	9.75
IP(EA), eV:	-8.91(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations