Geometry & MOs

Info

ID:	48070
PubChem CID:	10536963
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	3.7
IP(EA), eV:	-9.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-6-methylpyridin-2-yl)-1H-imidazole-2-thione

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=O)N1)C(=O)C)C(=O)CC

DOS

IR

Vibrations