Geometry & MOs

Info

ID:	126871
PubChem CID:	50982840
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	277.165108
ΔH_f, kcal/mol:	25.6
Dipole, Da:	4.49
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]-1,2-dihydro-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC(CCC1=CC=CO1)NC2=C3C4=C(CNCC4)SC3=NC=N2

DOS

IR

Vibrations