Geometry & MOs

Info

ID:	136465
PubChem CID:	52046369
Reduced:	FO3N5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	490.274405
ΔH_f, kcal/mol:	-59.45
Dipole, Da:	6.26
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)F

DOS

IR

Vibrations