Geometry & MOs

Info

ID:	360621
PubChem CID:	127301266
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	4.13
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations