Geometry & MOs

Info

ID:	136463
PubChem CID:	52046007
Reduced:	F2O2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	491.269654
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	3.9
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidin-3-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CN(N=N2)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations