Geometry & MOs

Info

ID:	211064
PubChem CID:	80891934
Reduced:	OSN6C9H12 (1)
Stoich.:	ABC6D9E12 (1)
Weight, g/mol:	266.09498
ΔH_f, kcal/mol:	41.29
Dipole, Da:	4.43
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[6-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations