Geometry & MOs

Info

ID:	126141
PubChem CID:	50952995
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	34.88
Dipole, Da:	5.7
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=NC(=O)CC(C2=CN1)C3=C(NC=N3)C

DOS

IR

Vibrations