Geometry & MOs

Info

ID:	17542
PubChem CID:	503906
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	54.75
Dipole, Da:	2.82
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-1-(3-methylanilino)imidazole-2-thiol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NN2C(=C(N=C2S)C)C

DOS

IR

Vibrations