Geometry & MOs

Info

ID:	136572
PubChem CID:	52066656
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	428.094799
ΔH_f, kcal/mol:	6.19
Dipole, Da:	1.59
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-5-cyanothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)C(=O)NC2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations