Geometry & MOs

Info

ID:	136458
PubChem CID:	52045694
Reduced:	ClFN3O4H11C14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	403.114376
ΔH_f, kcal/mol:	-129.01
Dipole, Da:	4.55
IP(EA), eV:	-10.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(trifluoromethoxy)phenyl]methyl 1-[(4-ethenylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1COC(=O)[C@H]1OC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations