Geometry & MOs

Info

ID:	155057
PubChem CID:	56320474
Reduced:	FO2N4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	472.09102
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	6.57
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)CN2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations