Geometry & MOs

Info

ID:	160521
PubChem CID:	57309869
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	131.064295
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	4.38
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,3-dimethylimidazolidin-3-ium-4-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CCC=O

DOS

IR

Vibrations