Geometry & MOs

Info

ID:	174513
PubChem CID:	75775696
Reduced:	FO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	509.222703
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	7.36
IP(EA), eV:	-8.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CN=CC=C5)F

DOS

IR

Vibrations