Geometry & MOs

Info

ID:	136452
PubChem CID:	52045688
Reduced:	ClFO2N3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	393.069175
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	7.0
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations