Geometry & MOs

Info

ID:	174525
PubChem CID:	75778241
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	388.227454
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	6.24
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations