Geometry & MOs

Info

ID:	40242
PubChem CID:	8143799
Reduced:	FOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	322.122538
ΔH_f, kcal/mol:	-8.95
Dipole, Da:	5.77
IP(EA), eV:	-8.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)OC(=N2)C3=CC=CC=C3F

DOS

IR

Vibrations