Geometry & MOs

Info

ID:	136442
PubChem CID:	52044012
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	345.068033
ΔH_f, kcal/mol:	66.27
Dipole, Da:	7.51
IP(EA), eV:	-9.97(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)methyl 1-(4-methylphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(N=N2)C(=O)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations