Geometry & MOs

Info

ID:	174510
PubChem CID:	75775693
Reduced:	FO4N5C27H30 (1)
Stoich.:	AB4C5D27E30 (1)
Weight, g/mol:	507.228183
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	7.67
IP(EA), eV:	-8.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CN=CC=C5)F

DOS

IR

Vibrations