Geometry & MOs

Info

ID:	40274
PubChem CID:	8143856
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	276.117058
ΔH_f, kcal/mol:	62.11
Dipole, Da:	4.37
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCCC3

DOS

IR

Vibrations