Geometry & MOs

Info

ID:	136571
PubChem CID:	52066541
Reduced:	ClO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-24.15
Dipole, Da:	11.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016864
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NC2CC[NH+](CC2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations