Geometry & MOs

Info

ID:	231600
PubChem CID:	87574289
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	3.76
IP(EA), eV:	-8.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[2-(4-methylphenyl)-1H-pyridazin-6-yl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N)C2=CC=CC(=C2)CC=O

DOS

IR

Vibrations