Geometry & MOs

Info

ID:	136470
PubChem CID:	52046767
Reduced:	FO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	457.285304
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	1.89
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C(=O)N4CCC(=O)CC4)F

DOS

IR

Vibrations