Geometry & MOs

Info

ID:	40510
PubChem CID:	8144253
Reduced:	NF2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	413.164737
ΔH_f, kcal/mol:	-242.47
Dipole, Da:	2.85
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=CC=CC=C4OC(F)F

DOS

IR

Vibrations