Geometry & MOs

Info

ID:	175807
PubChem CID:	75950059
Reduced:	FO2N5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	488.175636
ΔH_f, kcal/mol:	63.29
Dipole, Da:	9.24
IP(EA), eV:	-9.28(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C(OC4=CC=CC=C4C3=NC5=NN=NN25)C6=CC=CC=C6F

DOS

IR

Vibrations