Geometry & MOs

Info

ID:	211065
PubChem CID:	80891935
Reduced:	OSN6C10H14 (1)
Stoich.:	ABC6D10E14 (1)
Weight, g/mol:	252.07933
ΔH_f, kcal/mol:	26.44
Dipole, Da:	3.04
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-amino-2-methylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCN1C(=O)NN=C1SC2=NC(=NC(=C2)C)NC

DOS

IR

Vibrations