Geometry & MOs

Info

ID:	288847
PubChem CID:	104326895
Reduced:	ClFNO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	255.057468
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	3.75
IP(EA), eV:	-9.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C(=CC(=N2)C(=O)OC)Cl)F

DOS

IR

Vibrations