Geometry & MOs

Info

ID:	136469
PubChem CID:	52046760
Reduced:	FO3N6C27H39 (1)
Stoich.:	AB3C6D27E39 (1)
Weight, g/mol:	414.206719
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	1.79
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]piperidin-4-one

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C(C)C)F

DOS

IR

Vibrations