Geometry & MOs

Info

ID:	41267
PubChem CID:	8145570
Reduced:	FO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	372.129435
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	5.43
IP(EA), eV:	-8.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations