Geometry & MOs

Info

ID:	40303
PubChem CID:	8143902
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	276.117058
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	5.28
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1C[C@H]1C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations