Geometry & MOs

Info

ID:	144417
PubChem CID:	53364977
Reduced:	FOSN3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	487.177503
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	7.56
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)F

DOS

IR

Vibrations