Geometry & MOs

Info

ID:	136453
PubChem CID:	52045689
Reduced:	ClF2N3O3H14C18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	375.078597
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	4.18
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCOC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl)F

DOS

IR

Vibrations