Geometry & MOs

Info

ID:	25450
PubChem CID:	625215
Reduced:	Cl2N2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	285.06689
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	2.99
IP(EA), eV:	-9.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

C#CCOCC1COC(O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations