Geometry & MOs

Info

ID:	292386
PubChem CID:	114918206
Reduced:	Cl2N2O3C10H12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	237.078123
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	4.43
IP(EA), eV:	-9.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine

Drug info:

PubChemData

Smile

COC(CNC(=O)C1=CC(=NC=C1Cl)Cl)OC

DOS

IR

Vibrations