Geometry & MOs

Info

ID:	208760
PubChem CID:	80581115
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	3.94
IP(EA), eV:	-8.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbothioamide

Drug info:

PubChemData

Smile

CN1C=CN(C1=O)CC(=O)N2CCNCC2

DOS

IR

Vibrations