Geometry & MOs

Info

ID:	136562
PubChem CID:	52064893
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	399.16032
ΔH_f, kcal/mol:	4.45
Dipole, Da:	3.18
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-cyclopropyl-N-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CO2)CC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations